3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol

C15H21NO3S — CID 67484994

IUPAC3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol
SMILESCS(=O)(=O)c1ccc(C(=CC2CCCCC2)CO)cn1
InChIInChI=1S/C15H21NO3S/c1-20(18,19)15-8-7-13(10-16-15)14(11-17)9-12-5-3-2-4-6-12/h7-10,12,17H,2-6,11H2,1H3
InChIKeyOJYJRKLZQDDZPA-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.44
Rot. Bonds4

About 3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol

3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol (PubChem CID 67484994) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol
PubChem CID67484994
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol
SMILESCS(=O)(=O)c1ccc(C(=CC2CCCCC2)CO)cn1
InChIInChI=1S/C15H21NO3S/c1-20(18,19)15-8-7-13(10-16-15)14(11-17)9-12-5-3-2-4-6-12/h7-10,12,17H,2-6,11H2,1H3
InChIKeyOJYJRKLZQDDZPA-UHFFFAOYSA-N
XLogP2.44
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol
CID 67084454
4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide
CID 67084448
2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67229120
3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide
CID 90794078
CID 87419485
CID 87419485
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
3-cyclopentyl-2-(6-ethylsulfonyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 91341147
(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
CID 123523269
(E)-3-cyclopentyl-2-(6-ethylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 142933322
(E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(hydroxymethyl)pyrazin-2-yl]prop-2-enamide
CID 67489018
2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 67228625
methyl 3-cycloheptyl-2-(4-methylsulfonylphenyl)prop-2-enoate
CID 54500614

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol (CID 67484994) is 3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol is CS(=O)(=O)c1ccc(C(=CC2CCCCC2)CO)cn1.
What is the InChIKey of 3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol?
The InChIKey is OJYJRKLZQDDZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-20(18,19)15-8-7-13(10-16-15)14(11-17)9-12-5-3-2-4-6-12/h7-10,12,17H,2-6,11H2,1H3.
What are the key properties of 3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol?
3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol has a molecular weight of 295.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 67484994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).