5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide

C16H26N2O3S2 — CID 69060598

IUPAC5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide
SMILESCN(C)CNS(=O)(=O)c1ccc(C2(CO)CC2C2CCCC2)s1
InChIInChI=1S/C16H26N2O3S2/c1-18(2)11-17-23(20,21)15-8-7-14(22-15)16(10-19)9-13(16)12-5-3-4-6-12/h7-8,12-13,17,19H,3-6,9-11H2,1-2H3
InChIKeyHSMLNVKHHDJTBB-UHFFFAOYSA-N
MW358.53 g/mol
LogP1.99
Rot. Bonds7

About 5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide

5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide (PubChem CID 69060598) has the molecular formula C16H26N2O3S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide
PubChem CID69060598
Molecular FormulaC16H26N2O3S2
Molecular Weight358.53 g/mol
Exact Mass358.14
IUPAC Name5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide
SMILESCN(C)CNS(=O)(=O)c1ccc(C2(CO)CC2C2CCCC2)s1
InChIInChI=1S/C16H26N2O3S2/c1-18(2)11-17-23(20,21)15-8-7-14(22-15)16(10-19)9-13(16)12-5-3-4-6-12/h7-8,12-13,17,19H,3-6,9-11H2,1-2H3
InChIKeyHSMLNVKHHDJTBB-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]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-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide (CID 69060598) is 5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide is CN(C)CNS(=O)(=O)c1ccc(C2(CO)CC2C2CCCC2)s1.
What is the InChIKey of 5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is HSMLNVKHHDJTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S2/c1-18(2)11-17-23(20,21)15-8-7-14(22-15)16(10-19)9-13(16)12-5-3-4-6-12/h7-8,12-13,17,19H,3-6,9-11H2,1-2H3.
What are the key properties of 5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide?
5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 358.53 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 69060598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).