3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide

C14H23N3O2S — CID 63277953

IUPAC3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
SMILESCC1CCCC1Nc1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C14H23N3O2S/c1-10-5-4-6-13(10)16-14-8-7-11(9-12(14)15)20(18,19)17(2)3/h7-10,13,16H,4-6,15H2,1-3H3
InChIKeySTTNSDVAUORURA-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide

3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide (PubChem CID 63277953) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
PubChem CID63277953
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
SMILESCC1CCCC1Nc1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C14H23N3O2S/c1-10-5-4-6-13(10)16-14-8-7-11(9-12(14)15)20(18,19)17(2)3/h7-10,13,16H,4-6,15H2,1-3H3
InChIKeySTTNSDVAUORURA-UHFFFAOYSA-N
XLogP2.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide
CID 64909074
3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 62360493
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
3-amino-4-[(2-methylcyclopentyl)amino]benzamide
CID 63278285
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide
CID 51160031
1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]thiourea
CID 7943135
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
4-bromo-5-fluoro-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 66109766
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
CID 43341136
3-amino-N,N-dimethyl-4-(2-methylanilino)benzenesulfonamide
CID 43341118

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide (CID 63277953) is 3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide is CC1CCCC1Nc1ccc(S(=O)(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide?
The InChIKey is STTNSDVAUORURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-5-4-6-13(10)16-14-8-7-11(9-12(14)15)20(18,19)17(2)3/h7-10,13,16H,4-6,15H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide?
3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide is sourced from PubChem (CID 63277953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).