5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide

C16H22N2O2S — CID 63279395

IUPAC5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCc1ccc(C#CCN)cc1S(=O)(=O)NC1CCCC1C
InChIInChI=1S/C16H22N2O2S/c1-12-5-3-7-15(12)18-21(19,20)16-11-14(6-4-10-17)9-8-13(16)2/h8-9,11-12,15,18H,3,5,7,10,17H2,1-2H3
InChIKeyNPDNUKFTBMHXLZ-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.77
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide

5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 63279395) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID63279395
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCc1ccc(C#CCN)cc1S(=O)(=O)NC1CCCC1C
InChIInChI=1S/C16H22N2O2S/c1-12-5-3-7-15(12)18-21(19,20)16-11-14(6-4-10-17)9-8-13(16)2/h8-9,11-12,15,18H,3,5,7,10,17H2,1-2H3
InChIKeyNPDNUKFTBMHXLZ-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-2-methylbenzenesulfonamide
CID 60843963
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-2-methylbenzenesulfonamide
CID 54926307
5-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzenesulfonamide
CID 60844439
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
5-(3-aminoprop-1-ynyl)-2-methylbenzenesulfonamide
CID 60846015
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide
CID 60846231
4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172811
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
CID 60824735
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-5-nitrobenzenesulfonamide
CID 7798978
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064380

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide (CID 63279395) is 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide is Cc1ccc(C#CCN)cc1S(=O)(=O)NC1CCCC1C.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is NPDNUKFTBMHXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-5-3-7-15(12)18-21(19,20)16-11-14(6-4-10-17)9-8-13(16)2/h8-9,11-12,15,18H,3,5,7,10,17H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide?
5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 63279395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).