(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol

C15H23NO3S — CID 107502764

IUPAC(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCc1cc(C(O)C2CCCC(S(C)(=O)=O)C2)cc(C)n1
InChIInChI=1S/C15H23NO3S/c1-10-7-13(8-11(2)16-10)15(17)12-5-4-6-14(9-12)20(3,18)19/h7-8,12,14-15,17H,4-6,9H2,1-3H3
InChIKeyZOCKDXLBXUOOER-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.34
Rot. Bonds3

About (2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol

(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol (PubChem CID 107502764) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
PubChem CID107502764
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCc1cc(C(O)C2CCCC(S(C)(=O)=O)C2)cc(C)n1
InChIInChI=1S/C15H23NO3S/c1-10-7-13(8-11(2)16-10)15(17)12-5-4-6-14(9-12)20(3,18)19/h7-8,12,14-15,17H,4-6,9H2,1-3H3
InChIKeyZOCKDXLBXUOOER-UHFFFAOYSA-N
XLogP2.34
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 114329804
(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 105114882
cyclopropyl-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502834
(4-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822026
(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572548
(3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502825
(2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 107969794
1-(3-methylsulfonylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459516
(3-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822100
(2-amino-5-bromophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 82703710
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 102830337

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol (CID 107502764) is (2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol is Cc1cc(C(O)C2CCCC(S(C)(=O)=O)C2)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
The InChIKey is ZOCKDXLBXUOOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10-7-13(8-11(2)16-10)15(17)12-5-4-6-14(9-12)20(3,18)19/h7-8,12,14-15,17H,4-6,9H2,1-3H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol has a molecular weight of 297.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 107502764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).