(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol

C14H21NOS — CID 124503041

IUPAC(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
SMILESCC[C@@H](O)c1ccc(SC2CCCCC2)nc1
InChIInChI=1S/C14H21NOS/c1-2-13(16)11-8-9-14(15-10-11)17-12-6-4-3-5-7-12/h8-10,12-13,16H,2-7H2,1H3/t13-/m1/s1
InChIKeyBXRUAZOWDZTUKQ-CYBMUJFWSA-N
MW251.39 g/mol
LogP3.95
Rot. Bonds4

About (1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol

(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol (PubChem CID 124503041) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is (1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
PubChem CID124503041
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
SMILESCC[C@@H](O)c1ccc(SC2CCCCC2)nc1
InChIInChI=1S/C14H21NOS/c1-2-13(16)11-8-9-14(15-10-11)17-12-6-4-3-5-7-12/h8-10,12-13,16H,2-7H2,1H3/t13-/m1/s1
InChIKeyBXRUAZOWDZTUKQ-CYBMUJFWSA-N
XLogP3.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol
CID 102546555
(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503049
(1R)-1-(6-phenylsulfanyl-3-pyridinyl)propan-1-ol
CID 124502785
1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol
CID 10849809
1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651798
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol
CID 65139338
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
CID 102546754
6-cyclohexylsulfanylpyridine-3-carboximidamide
CID 60887032
6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 60884933
1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
CID 102546442

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol?
The IUPAC name of (1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol (CID 124503041) is (1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for (1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol is CC[C@@H](O)c1ccc(SC2CCCCC2)nc1.
What is the InChIKey of (1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol?
The InChIKey is BXRUAZOWDZTUKQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-13(16)11-8-9-14(15-10-11)17-12-6-4-3-5-7-12/h8-10,12-13,16H,2-7H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol?
(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 124503041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).