COC(=O)CCS(=O)(=O)N1CC[NH2+]CC1
이름: methyl 3-piperazin-4-ium-1-ylsulfonylpropanoate
SMILES: COC(=O)CCS(=O)(=O)N1CC[NH2+]CC1

Molecular Processing

Molecular formula
C8H17N2O4S+
Molecular weight
237.3
Exact mass
237.0904
XLogP
-2.24
TPSA
80.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
53.65

Supplementary Information

InChIKey: VQLHBMNUKKVLEU-UHFFFAOYSA-O
동의어
VQLHBMNUKKVLEU-UHFFFAOYSA-O4-(2-methoxycarbonyl-ethanesulfonyl)-piperazin-1-ium
출처 보기 →
7개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→