4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide

C14H18N2O2S — CID 54926777

IUPAC4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CC2)ccc1C#CCN
InChIInChI=1S/C14H18N2O2S/c1-11-10-14(8-5-12(11)4-3-9-15)19(17,18)16(2)13-6-7-13/h5,8,10,13H,6-7,9,15H2,1-2H3
InChIKeyZUOPBBBFHFBGRH-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.09
Rot. Bonds3

About 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide

4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide (PubChem CID 54926777) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
PubChem CID54926777
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CC2)ccc1C#CCN
InChIInChI=1S/C14H18N2O2S/c1-11-10-14(8-5-12(11)4-3-9-15)19(17,18)16(2)13-6-7-13/h5,8,10,13H,6-7,9,15H2,1-2H3
InChIKeyZUOPBBBFHFBGRH-UHFFFAOYSA-N
XLogP1.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide 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-(3-aminoprop-1-ynyl)-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82729748
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025
N-cyclopropyl-4-(3-hydroxyprop-1-ynyl)-3-methyl-N-propylbenzenesulfonamide
CID 60844950
3-[4-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]prop-2-yn-1-amine
CID 60973544
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-4,6-difluoro-N-methylbenzenesulfonamide
CID 60845017
1-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]sulfonyl-3-methylpyrrolidin-3-ol
CID 103357681
3-[4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]prop-2-yn-1-amine
CID 63218875
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
CID 36649156
4-(3-aminoprop-1-ynyl)-N,N-diethyl-3-fluorobenzenesulfonamide
CID 107652309
4-(3-aminoprop-1-ynyl)-3-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 62691664
4-cyano-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbenzenesulfonamide
CID 106832945
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide (CID 54926777) is 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C2CC2)ccc1C#CCN.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide?
The InChIKey is ZUOPBBBFHFBGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-10-14(8-5-12(11)4-3-9-15)19(17,18)16(2)13-6-7-13/h5,8,10,13H,6-7,9,15H2,1-2H3.
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide?
4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 54926777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).