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

C13H21N3O2S — CID 82900869

IUPAC4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC2CCCC2C)c1
InChIInChI=1S/C13H21N3O2S/c1-9-4-3-5-12(9)16-13-8-10(6-7-11(13)14)19(17,18)15-2/h6-9,12,15-16H,3-5,14H2,1-2H3
InChIKeyLISZBPMINSLMRQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.78
Rot. Bonds4

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

4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide (PubChem CID 82900869) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
PubChem CID82900869
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC2CCCC2C)c1
InChIInChI=1S/C13H21N3O2S/c1-9-4-3-5-12(9)16-13-8-10(6-7-11(13)14)19(17,18)15-2/h6-9,12,15-16H,3-5,14H2,1-2H3
InChIKeyLISZBPMINSLMRQ-UHFFFAOYSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.78
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

4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 82901713
3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 63277953
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359
4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
CID 82900583
4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
CID 82901171
4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
CID 82901248
4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide
CID 82898670
4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 82906942
4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide
CID 82900358
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
methyl 4-amino-3-[(2-methylcyclohexyl)amino]benzoate
CID 82784954

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide (CID 82900869) is 4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NC2CCCC2C)c1.
What is the InChIKey of 4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide?
The InChIKey is LISZBPMINSLMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-4-3-5-12(9)16-13-8-10(6-7-11(13)14)19(17,18)15-2/h6-9,12,15-16H,3-5,14H2,1-2H3.
What are the key properties of 4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide?
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide is sourced from PubChem (CID 82900869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).