5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide

C7H12N2O2S — CID 168697255

IUPAC5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(CCS)C1
InChIInChI=1S/C7H12N2O2S/c8-7(11)5-3-6(10)9(4-5)1-2-12/h5,12H,1-4H2,(H2,8,11)
InChIKeyJKFNOPCEMHASJM-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.75
Rot. Bonds3

About 5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide

5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide (PubChem CID 168697255) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
PubChem CID168697255
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(CCS)C1
InChIInChI=1S/C7H12N2O2S/c8-7(11)5-3-6(10)9(4-5)1-2-12/h5,12H,1-4H2,(H2,8,11)
InChIKeyJKFNOPCEMHASJM-UHFFFAOYSA-N
XLogP-0.75
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168697198
(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid
CID 168695887
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696347
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697250
5-oxo-1-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide
CID 168697234
1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 168697217
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696255
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide
CID 168697321
1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697270

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide (CID 168697255) is 5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(CCS)C1.
What is the InChIKey of 5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide?
The InChIKey is JKFNOPCEMHASJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c8-7(11)5-3-6(10)9(4-5)1-2-12/h5,12H,1-4H2,(H2,8,11).
What are the key properties of 5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide?
5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide has a molecular weight of 188.25 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168697255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).