1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol

C11H14ClNOS — CID 65212251

IUPAC1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol
SMILESOC1(CSc2ncccc2Cl)CCCC1
InChIInChI=1S/C11H14ClNOS/c12-9-4-3-7-13-10(9)15-8-11(14)5-1-2-6-11/h3-4,7,14H,1-2,5-6,8H2
InChIKeyZWQWWTNKOFURNJ-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.13
Rot. Bonds3

About 1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol

1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol (PubChem CID 65212251) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol
PubChem CID65212251
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol
SMILESOC1(CSc2ncccc2Cl)CCCC1
InChIInChI=1S/C11H14ClNOS/c12-9-4-3-7-13-10(9)15-8-11(14)5-1-2-6-11/h3-4,7,14H,1-2,5-6,8H2
InChIKeyZWQWWTNKOFURNJ-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-chloroethylsulfanyl)pyridine
CID 43446290
1-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 13448038
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821551
3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine
CID 131182823
ethyl 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-4-hydroxycyclohexane-1-carboxylate
CID 106498112
2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol
CID 64818640
2-benzylsulfanyl-3-chloropyridine;formic acid
CID 174946739
1-(3-chloro-2-pyridinyl)cyclopropan-1-ol
CID 174048880
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine
CID 113449556
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79557657

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol (CID 65212251) is 1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol is OC1(CSc2ncccc2Cl)CCCC1.
What is the InChIKey of 1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol?
The InChIKey is ZWQWWTNKOFURNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-9-4-3-7-13-10(9)15-8-11(14)5-1-2-6-11/h3-4,7,14H,1-2,5-6,8H2.
What are the key properties of 1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol?
1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol has a molecular weight of 243.76 g/mol, XLogP of 3.13, 3 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)sulfanylmethyl]cyclopentan-1-ol is sourced from PubChem (CID 65212251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).