4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide

C14H18N2O2S — CID 60844096

IUPAC4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide
SMILESNCC#Cc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H18N2O2S/c15-11-3-4-12-7-9-14(10-8-12)19(17,18)16-13-5-1-2-6-13/h7-10,13,16H,1-2,5-6,11,15H2
InChIKeyVBNNDBPWGGVUFA-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.22
Rot. Bonds3

About 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide

4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide (PubChem CID 60844096) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide
PubChem CID60844096
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide
SMILESNCC#Cc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H18N2O2S/c15-11-3-4-12-7-9-14(10-8-12)19(17,18)16-13-5-1-2-6-13/h7-10,13,16H,1-2,5-6,11,15H2
InChIKeyVBNNDBPWGGVUFA-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide 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

4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-(3-aminoprop-1-ynyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80716198
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-(3-aminoprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787704
3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844774
4-(3-aminoprop-1-ynyl)-2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 60843632
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
4-(3-aminoprop-1-ynyl)-N-benzylbenzenesulfonamide
CID 60845155
methyl 2-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]propanoate
CID 61498035
4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83023580

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide (CID 60844096) is 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide is NCC#Cc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide?
The InChIKey is VBNNDBPWGGVUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-11-3-4-12-7-9-14(10-8-12)19(17,18)16-13-5-1-2-6-13/h7-10,13,16H,1-2,5-6,11,15H2.
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide?
4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide is sourced from PubChem (CID 60844096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).