N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide

C12H21NO2S — CID 103713860

IUPACN-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
SMILESCCSC1CCC(NC(=O)CCC(C)=O)C1
InChIInChI=1S/C12H21NO2S/c1-3-16-11-6-5-10(8-11)13-12(15)7-4-9(2)14/h10-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyWAEHDLJLVAQNAC-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.15
Rot. Bonds6

About N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide

N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide (PubChem CID 103713860) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
PubChem CID103713860
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
SMILESCCSC1CCC(NC(=O)CCC(C)=O)C1
InChIInChI=1S/C12H21NO2S/c1-3-16-11-6-5-10(8-11)13-12(15)7-4-9(2)14/h10-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyWAEHDLJLVAQNAC-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 114123170
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 107329607
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 103715144
2-[(3-ethylsulfanylcyclopentyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 114124290
2-amino-N-(3-ethylsulfanylcyclohexyl)acetamide;hydrochloride
CID 119343755
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide
CID 95990381
2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103713466
2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 113267227
2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate
CID 142541904
3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 114123292
4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide
CID 95969263

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide (CID 103713860) is N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide is CCSC1CCC(NC(=O)CCC(C)=O)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide?
The InChIKey is WAEHDLJLVAQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-3-16-11-6-5-10(8-11)13-12(15)7-4-9(2)14/h10-11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide?
N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide has a molecular weight of 243.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide is sourced from PubChem (CID 103713860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).