5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile

C10H9N3OS — CID 168710005

IUPAC5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CC(S)CC2=O)cn1
InChIInChI=1S/C10H9N3OS/c11-4-7-1-2-8(5-12-7)13-6-9(15)3-10(13)14/h1-2,5,9,15H,3,6H2
InChIKeyAXLWXWUYLNMIHO-UHFFFAOYSA-N
MW219.27 g/mol
LogP0.99
Rot. Bonds1

About 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile

5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile (PubChem CID 168710005) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile
PubChem CID168710005
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CC(S)CC2=O)cn1
InChIInChI=1S/C10H9N3OS/c11-4-7-1-2-8(5-12-7)13-6-9(15)3-10(13)14/h1-2,5,9,15H,3,6H2
InChIKeyAXLWXWUYLNMIHO-UHFFFAOYSA-N
XLogP0.99
TPSA56.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethynyl-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168502281
5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
CID 168657848
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982
4-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 168709881
1-(4-methylphenyl)-5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrazole-4-carbonitrile
CID 168708856
1-(4-propoxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708183
4-amino-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168710214
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
1-[4-(2-methoxyethoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708506
1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709041
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile
CID 168710285

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile (CID 168710005) is 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile is N#Cc1ccc(N2CC(S)CC2=O)cn1.
What is the InChIKey of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is AXLWXWUYLNMIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-4-7-1-2-8(5-12-7)13-6-9(15)3-10(13)14/h1-2,5,9,15H,3,6H2.
What are the key properties of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile?
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 219.27 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 168710005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).