5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide

C11H14N2O2S2 — CID 10400955

IUPAC5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C[C@H]3CNC[C@H]3C2)s1
InChIInChI=1S/C11H14N2O2S2/c12-17(14,15)11-2-1-10(16-11)7-3-8-5-13-6-9(8)4-7/h1-3,8-9,13H,4-6H2,(H2,12,14,15)/t8-,9+/m0/s1
InChIKeyTYTYGNYDODGHMD-DTWKUNHWSA-N
MW270.38 g/mol
LogP1.02
Rot. Bonds2

About 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide

5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide (PubChem CID 10400955) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide
PubChem CID10400955
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C[C@H]3CNC[C@H]3C2)s1
InChIInChI=1S/C11H14N2O2S2/c12-17(14,15)11-2-1-10(16-11)7-3-8-5-13-6-9(8)4-7/h1-3,8-9,13H,4-6H2,(H2,12,14,15)/t8-,9+/m0/s1
InChIKeyTYTYGNYDODGHMD-DTWKUNHWSA-N
XLogP1.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-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 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide (CID 10400955) is 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(C2=C[C@H]3CNC[C@H]3C2)s1.
What is the InChIKey of 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide?
The InChIKey is TYTYGNYDODGHMD-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c12-17(14,15)11-2-1-10(16-11)7-3-8-5-13-6-9(8)4-7/h1-3,8-9,13H,4-6H2,(H2,12,14,15)/t8-,9+/m0/s1.
What are the key properties of 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide?
5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide has a molecular weight of 270.38 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 10400955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).