N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide

C14H21NO2S2 — CID 113248074

IUPACN-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2ccccc2C)C1
InChIInChI=1S/C14H21NO2S2/c1-3-18-13-9-8-12(10-13)15-19(16,17)14-7-5-4-6-11(14)2/h4-7,12-13,15H,3,8-10H2,1-2H3
InChIKeyHFWMSECSTKNYTP-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.95
Rot. Bonds5

About N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide

N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide (PubChem CID 113248074) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
PubChem CID113248074
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2ccccc2C)C1
InChIInChI=1S/C14H21NO2S2/c1-3-18-13-9-8-12(10-13)15-19(16,17)14-7-5-4-6-11(14)2/h4-7,12-13,15H,3,8-10H2,1-2H3
InChIKeyHFWMSECSTKNYTP-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091523
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 106001344
N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide
CID 115695655
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091565
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106091522
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 114123634
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106001324
5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272138
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
CID 106091492

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide (CID 113248074) is N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide is CCSC1CCC(NS(=O)(=O)c2ccccc2C)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide?
The InChIKey is HFWMSECSTKNYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-3-18-13-9-8-12(10-13)15-19(16,17)14-7-5-4-6-11(14)2/h4-7,12-13,15H,3,8-10H2,1-2H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide?
N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide has a molecular weight of 299.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 113248074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).