3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide

C14H23N3O2S — CID 60920158

IUPAC3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCC2CCCC2)c(N)c1
InChIInChI=1S/C14H23N3O2S/c1-16-20(18,19)12-6-7-14(13(15)10-12)17-9-8-11-4-2-3-5-11/h6-7,10-11,16-17H,2-5,8-9,15H2,1H3
InChIKeySLKGPPWDKPIAIX-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.17
Rot. Bonds6

About 3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide

3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide (PubChem CID 60920158) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
PubChem CID60920158
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCC2CCCC2)c(N)c1
InChIInChI=1S/C14H23N3O2S/c1-16-20(18,19)12-6-7-14(13(15)10-12)17-9-8-11-4-2-3-5-11/h6-7,10-11,16-17H,2-5,8-9,15H2,1H3
InChIKeySLKGPPWDKPIAIX-UHFFFAOYSA-N
XLogP2.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 54932454
4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 54932320
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
3-amino-N-methyl-4-(thian-2-ylmethylamino)benzenesulfonamide
CID 80596361
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 63821852
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzenesulfonamide
CID 115358102
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79352658
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 62498772
3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
CID 115328855
3-amino-4-(2-cyclohexylethylamino)benzoic acid
CID 54887730

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide (CID 60920158) is 3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCC2CCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide?
The InChIKey is SLKGPPWDKPIAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16-20(18,19)12-6-7-14(13(15)10-12)17-9-8-11-4-2-3-5-11/h6-7,10-11,16-17H,2-5,8-9,15H2,1H3.
What are the key properties of 3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide?
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60920158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).