2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol

C13H19NOS — CID 65139338

IUPAC2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)CSC2CCCC2)cn1
InChIInChI=1S/C13H19NOS/c1-10-6-7-11(8-14-10)13(15)9-16-12-4-2-3-5-12/h6-8,12-13,15H,2-5,9H2,1H3
InChIKeyUXJAXDPUFWNYFW-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.10
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol

2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol (PubChem CID 65139338) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol
PubChem CID65139338
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)CSC2CCCC2)cn1
InChIInChI=1S/C13H19NOS/c1-10-6-7-11(8-14-10)13(15)9-16-12-4-2-3-5-12/h6-8,12-13,15H,2-5,9H2,1H3
InChIKeyUXJAXDPUFWNYFW-UHFFFAOYSA-N
XLogP3.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol
CID 81220822
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973
2-cyclohexylsulfanyl-1-quinolin-3-ylethanol
CID 65140040
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 65138752
2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
CID 65139790
(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanol
CID 107192253
1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol
CID 105096815
1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
CID 104823049
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503041
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol
CID 65139697
2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 65138645

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol (CID 65139338) is 2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol is Cc1ccc(C(O)CSC2CCCC2)cn1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol?
The InChIKey is UXJAXDPUFWNYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-6-7-11(8-14-10)13(15)9-16-12-4-2-3-5-12/h6-8,12-13,15H,2-5,9H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol?
2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol has a molecular weight of 237.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 65139338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).