(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol

C14H21NO3S — CID 105114882

IUPAC(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCc1cncc(C(O)C2CCCC(S(C)(=O)=O)C2)c1
InChIInChI=1S/C14H21NO3S/c1-10-6-12(9-15-8-10)14(16)11-4-3-5-13(7-11)19(2,17)18/h6,8-9,11,13-14,16H,3-5,7H2,1-2H3
InChIKeyUYYOBZKOCDKYLQ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.03
Rot. Bonds3

About (5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol

(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol (PubChem CID 105114882) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
PubChem CID105114882
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCc1cncc(C(O)C2CCCC(S(C)(=O)=O)C2)c1
InChIInChI=1S/C14H21NO3S/c1-10-6-12(9-15-8-10)14(16)11-4-3-5-13(7-11)19(2,17)18/h6,8-9,11,13-14,16H,3-5,7H2,1-2H3
InChIKeyUYYOBZKOCDKYLQ-UHFFFAOYSA-N
XLogP2.03
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
The IUPAC name of (5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol (CID 105114882) is (5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for (5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol is Cc1cncc(C(O)C2CCCC(S(C)(=O)=O)C2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
The InChIKey is UYYOBZKOCDKYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-6-12(9-15-8-10)14(16)11-4-3-5-13(7-11)19(2,17)18/h6,8-9,11,13-14,16H,3-5,7H2,1-2H3.
What are the key properties of (5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol has a molecular weight of 283.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 105114882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).