CC(C)(C)OC(=O)NC1=NC=C(C=C1)COS(=O)(=O)C
Name: [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl methanesulfonate
SMILES: CC(C)(C)OC(=O)NC1=NC=C(C=C1)COS(=O)(=O)C

Molecular Processing

Molecular formula
C12H18N2O5S
Molecular weight
302.35
Exact mass
302.0936
XLogP
1.9
TPSA
94.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.73

Supplementary Information

InChIKey: MOCWQDAPJPLXCZ-UHFFFAOYSA-N
Synonyme
SCHEMBL1126313MOCWQDAPJPLXCZ-UHFFFAOYSA-N(6-(tert-butoxycarbonylamino)pyridin-3-yl)methyl methanesulfonatemethanesulfonic acid 6-tert-butoxycarbonylamino-pyridin-3-ylmethyl ester
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