3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide

C14H22N2O2S — CID 43370956

IUPAC3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCC2)cc(N)c1C
InChIInChI=1S/C14H22N2O2S/c1-10-7-13(8-14(15)11(10)2)19(17,18)16-9-12-5-3-4-6-12/h7-8,12,16H,3-6,9,15H2,1-2H3
InChIKeyXAQYNJPVBNIGTF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide

3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 43370956) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
PubChem CID43370956
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCC2)cc(N)c1C
InChIInChI=1S/C14H22N2O2S/c1-10-7-13(8-14(15)11(10)2)19(17,18)16-9-12-5-3-4-6-12/h7-8,12,16H,3-6,9,15H2,1-2H3
InChIKeyXAQYNJPVBNIGTF-UHFFFAOYSA-N
XLogP2.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
CID 43371503
3-amino-N-(cyclobutylmethyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421211
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
CID 79888817
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
4-(cyclohexylmethylsulfamoyl)-2-methylbenzenecarbothioamide
CID 106920025
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
3-amino-N-[3-(2-hydroxyethoxy)propyl]-4,5-dimethylbenzenesulfonamide
CID 106308624
3-amino-4-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 115421485
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide (CID 43370956) is 3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC2CCCC2)cc(N)c1C.
What is the InChIKey of 3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is XAQYNJPVBNIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-7-13(8-14(15)11(10)2)19(17,18)16-9-12-5-3-4-6-12/h7-8,12,16H,3-6,9,15H2,1-2H3.
What are the key properties of 3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide?
3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43370956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).