N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide

C10H18N4O3S — CID 55030433

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C10H18N4O3S/c1-7-12-10(6-14(7)2)18(15,16)13-8-4-11-5-9(8)17-3/h6,8-9,11,13H,4-5H2,1-3H3/t8?,9-/m0/s1
InChIKeyJZBGXBDINKBKFF-GKAPJAKFSA-N
MW274.35 g/mol
LogP-1.01
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 55030433) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID55030433
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C10H18N4O3S/c1-7-12-10(6-14(7)2)18(15,16)13-8-4-11-5-9(8)17-3/h6,8-9,11,13H,4-5H2,1-3H3/t8?,9-/m0/s1
InChIKeyJZBGXBDINKBKFF-GKAPJAKFSA-N
XLogP-1.01
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide (CID 55030433) is N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide is CO[C@H]1CNCC1NS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is JZBGXBDINKBKFF-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7-12-10(6-14(7)2)18(15,16)13-8-4-11-5-9(8)17-3/h6,8-9,11,13H,4-5H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 55030433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).