5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide

C15H22N2O2S — CID 106164632

IUPAC5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC2=CCCC2)c1C
InChIInChI=1S/C15H22N2O2S/c1-11-9-14(16)10-15(12(11)2)20(18,19)17-8-7-13-5-3-4-6-13/h5,9-10,17H,3-4,6-8,16H2,1-2H3
InChIKeyAANDAVSHKGWNSV-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.66
Rot. Bonds5

About 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide

5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 106164632) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
PubChem CID106164632
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC2=CCCC2)c1C
InChIInChI=1S/C15H22N2O2S/c1-11-9-14(16)10-15(12(11)2)20(18,19)17-8-7-13-5-3-4-6-13/h5,9-10,17H,3-4,6-8,16H2,1-2H3
InChIKeyAANDAVSHKGWNSV-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-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

5-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 61111770
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106164705
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 79884493
N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106150784
4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 61113473
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 63321878
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982651
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106164553
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-fluoro-4-methoxybenzenesulfonamide
CID 106164718

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide (CID 106164632) is 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCCC2=CCCC2)c1C.
What is the InChIKey of 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is AANDAVSHKGWNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-9-14(16)10-15(12(11)2)20(18,19)17-8-7-13-5-3-4-6-13/h5,9-10,17H,3-4,6-8,16H2,1-2H3.
What are the key properties of 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide?
5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 106164632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).