2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide

C14H22N2O2S — CID 79861056

IUPAC2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC2(C)C)c(N)c1
InChIInChI=1S/C14H22N2O2S/c1-10-6-7-12(11(15)9-10)19(17,18)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8,15H2,1-3H3
InChIKeyHFLLZFCTGSPCPU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.43
Rot. Bonds3

About 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide

2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide (PubChem CID 79861056) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
PubChem CID79861056
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC2(C)C)c(N)c1
InChIInChI=1S/C14H22N2O2S/c1-10-6-7-12(11(15)9-10)19(17,18)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8,15H2,1-3H3
InChIKeyHFLLZFCTGSPCPU-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.43
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

2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
2-amino-N-(2,2-dimethylcyclopentyl)-4-nitrobenzenesulfonamide
CID 79870556
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393
4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 79861704
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79861627
3-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 115993737
2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485273
2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide
CID 103171642
2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861380
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide (CID 79861056) is 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCC2(C)C)c(N)c1.
What is the InChIKey of 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide?
The InChIKey is HFLLZFCTGSPCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-6-7-12(11(15)9-10)19(17,18)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8,15H2,1-3H3.
What are the key properties of 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide?
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 79861056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).