2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide

C12H18N2O2S2 — CID 104859269

IUPAC2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C12H18N2O2S2/c1-17-11-7-4-6-10(11)14-18(15,16)12-8-3-2-5-9(12)13/h2-3,5,8,10-11,14H,4,6-7,13H2,1H3
InChIKeyCPXBSFAVPTVQMR-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.83
Rot. Bonds4

About 2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide

2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide (PubChem CID 104859269) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
PubChem CID104859269
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C12H18N2O2S2/c1-17-11-7-4-6-10(11)14-18(15,16)12-8-3-2-5-9(12)13/h2-3,5,8,10-11,14H,4,6-7,13H2,1H3
InChIKeyCPXBSFAVPTVQMR-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.83
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

methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate
CID 103836287
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 113498458
2-amino-N-cyclobutylbenzenesulfonamide
CID 62414720
2-amino-5-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 103823754
4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659
5-(aminomethyl)-2-methyl-N-(2-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106091691
2-amino-N-cycloheptylbenzenesulfonamide
CID 28590104
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289
5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091811
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide (CID 104859269) is 2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide is CSC1CCCC1NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The InChIKey is CPXBSFAVPTVQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-17-11-7-4-6-10(11)14-18(15,16)12-8-3-2-5-9(12)13/h2-3,5,8,10-11,14H,4,6-7,13H2,1H3.
What are the key properties of 2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide has a molecular weight of 286.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 104859269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).