1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol

C12H23NO3S — CID 79609304

IUPAC1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)C2CCC2)C1
InChIInChI=1S/C12H23NO3S/c1-17(15,16)13-7-3-4-10(9-13)8-12(14)11-5-2-6-11/h10-12,14H,2-9H2,1H3
InChIKeyMUARFYPJJHJQMM-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.21
Rot. Bonds4

About 1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol

1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 79609304) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID79609304
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)C2CCC2)C1
InChIInChI=1S/C12H23NO3S/c1-17(15,16)13-7-3-4-10(9-13)8-12(14)11-5-2-6-11/h10-12,14H,2-9H2,1H3
InChIKeyMUARFYPJJHJQMM-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 79609304) is 1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CS(=O)(=O)N1CCCC(CC(O)C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is MUARFYPJJHJQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-17(15,16)13-7-3-4-10(9-13)8-12(14)11-5-2-6-11/h10-12,14H,2-9H2,1H3.
What are the key properties of 1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 261.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 79609304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).