CC(C)(C)NS(=O)(=O)C1=CN(C=C1)C
名称: N-tert-butyl-1-methylpyrrole-3-sulfonamide
SMILES: CC(C)(C)NS(=O)(=O)C1=CN(C=C1)C

Molecular Processing

Molecular formula
C9H16N2O2S
Molecular weight
216.31
Exact mass
216.0932
XLogP
1.1
TPSA
51.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
55.49

Supplementary Information

InChIKey: XFVURMYIYQRDBN-UHFFFAOYSA-N
同義語
SCHEMBL8530137XFVURMYIYQRDBN-UHFFFAOYSA-NN-(1,1-Dimethylethyl)-1-methyl-1H-pyrrole-3-sulfonamide
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