3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one

C10H10ClNOS — CID 64722424

IUPAC3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one
SMILESO=C1CCC(Sc2ncccc2Cl)C1
InChIInChI=1S/C10H10ClNOS/c11-9-2-1-5-12-10(9)14-8-4-3-7(13)6-8/h1-2,5,8H,3-4,6H2
InChIKeyAJRNKCSZVUQRIX-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.95
Rot. Bonds2

About 3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one

3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one (PubChem CID 64722424) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one
PubChem CID64722424
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one
SMILESO=C1CCC(Sc2ncccc2Cl)C1
InChIInChI=1S/C10H10ClNOS/c11-9-2-1-5-12-10(9)14-8-4-3-7(13)6-8/h1-2,5,8H,3-4,6H2
InChIKeyAJRNKCSZVUQRIX-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one (CID 64722424) is 3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one is O=C1CCC(Sc2ncccc2Cl)C1.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one?
The InChIKey is AJRNKCSZVUQRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c11-9-2-1-5-12-10(9)14-8-4-3-7(13)6-8/h1-2,5,8H,3-4,6H2.
What are the key properties of 3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one?
3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one has a molecular weight of 227.72 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentan-1-one is sourced from PubChem (CID 64722424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).