3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide

C16H22N2O2S — CID 61444206

IUPAC3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C16H22N2O2S/c1-2-3-12-18(15-9-10-15)21(19,20)16-8-4-6-14(13-16)7-5-11-17/h4,6,8,13,15H,2-3,9-12,17H2,1H3
InChIKeyABPKQFKBJAOJBB-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.95
Rot. Bonds6

About 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide

3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide (PubChem CID 61444206) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide
PubChem CID61444206
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C16H22N2O2S/c1-2-3-12-18(15-9-10-15)21(19,20)16-8-4-6-14(13-16)7-5-11-17/h4,6,8,13,15H,2-3,9-12,17H2,1H3
InChIKeyABPKQFKBJAOJBB-UHFFFAOYSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide 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

3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102868308
N-cyclopropyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
CID 60845310
3-(3-aminoprop-1-ynyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447399
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide
CID 54926868
3-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 63701055
3-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062012
N-butyl-3-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 129370560
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926862
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide (CID 61444206) is 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1cccc(C#CCN)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide?
The InChIKey is ABPKQFKBJAOJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-3-12-18(15-9-10-15)21(19,20)16-8-4-6-14(13-16)7-5-11-17/h4,6,8,13,15H,2-3,9-12,17H2,1H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide?
3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 61444206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).