N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C13H22N2O2S — CID 75414529

IUPACN-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCSC2CCCC2)CC1=O
InChIInChI=1S/C13H22N2O2S/c1-15-9-10(8-12(15)16)13(17)14-6-7-18-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyOHJGEDBEOCBWQW-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.26
Rot. Bonds5

About N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 75414529) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID75414529
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCSC2CCCC2)CC1=O
InChIInChI=1S/C13H22N2O2S/c1-15-9-10(8-12(15)16)13(17)14-6-7-18-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyOHJGEDBEOCBWQW-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94093445
N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide
CID 94101555
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
(3R)-N-(2-cyclohexylsulfanylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280398
1-methyl-5-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 178032882
4-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525988
N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide
CID 99970726
(2S)-N-(2-cyclohexylsulfanylethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125177462
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 66004114
N-[(3-hydroxycyclopentyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 103280729
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 107362651
1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435852

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 75414529) is N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCCSC2CCCC2)CC1=O.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OHJGEDBEOCBWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-15-9-10(8-12(15)16)13(17)14-6-7-18-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,14,17).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75414529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).