N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide

C11H20N2O2S — CID 71993237

IUPACN-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCCSCCC(C)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H20N2O2S/c1-3-16-7-6-8(2)12-11(15)9-4-5-10(14)13-9/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRQLHVIDDRYTGGD-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.91
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide

N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 71993237) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID71993237
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCCSCCC(C)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H20N2O2S/c1-3-16-7-6-8(2)12-11(15)9-4-5-10(14)13-9/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRQLHVIDDRYTGGD-UHFFFAOYSA-N
XLogP0.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
CID 103709621
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 59525111
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 115734464
N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 43500469
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 115734458
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457
(2R)-5-oxo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 94820968
(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 101002831

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide (CID 71993237) is N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide is CCSCCC(C)NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RQLHVIDDRYTGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-16-7-6-8(2)12-11(15)9-4-5-10(14)13-9/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 71993237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).