1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one

C10H11ClN2OS — CID 168671870

IUPAC1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1c1ncccc1Cl
InChIInChI=1S/C10H11ClN2OS/c11-8-2-1-3-12-10(8)13-5-7(6-15)4-9(13)14/h1-3,7,15H,4-6H2
InChIKeyXSNXWSYVSWPMTH-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.02
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one

1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168671870) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168671870
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1c1ncccc1Cl
InChIInChI=1S/C10H11ClN2OS/c11-8-2-1-3-12-10(8)13-5-7(6-15)4-9(13)14/h1-3,7,15H,4-6H2
InChIKeyXSNXWSYVSWPMTH-UHFFFAOYSA-N
XLogP2.02
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dichlorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671276
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
CID 168509192
1-(2-methoxy-3-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670282
1-(2-chloro-5-iodopyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671819
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde
CID 168505901
1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663841
4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168505869
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
1-(6-chloro-5-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670229
1-pyridazin-4-yl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672252
1-(6-chloropyridazin-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671631
1-(6-bromo-5-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671845

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168671870) is 1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one is O=C1CC(CS)CN1c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is XSNXWSYVSWPMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c11-8-2-1-3-12-10(8)13-5-7(6-15)4-9(13)14/h1-3,7,15H,4-6H2.
What are the key properties of 1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 242.73 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168671870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).