(1-methylsulfonylpiperidin-4-yl)methanol

C7H15NO3S — CID 18352755

IUPAC(1-methylsulfonylpiperidin-4-yl)methanol
SMILESCS(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h7,9H,2-6H2,1H3
InChIKeyWDKWVYKURJCBFY-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.35
Rot. Bonds2

About (1-methylsulfonylpiperidin-4-yl)methanol

(1-methylsulfonylpiperidin-4-yl)methanol (PubChem CID 18352755) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)methanol
PubChem CID18352755
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(1-methylsulfonylpiperidin-4-yl)methanol
SMILESCS(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h7,9H,2-6H2,1H3
InChIKeyWDKWVYKURJCBFY-UHFFFAOYSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)methanol?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)methanol (CID 18352755) is (1-methylsulfonylpiperidin-4-yl)methanol.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)methanol?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)methanol is CS(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)methanol?
The InChIKey is WDKWVYKURJCBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h7,9H,2-6H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)methanol?
(1-methylsulfonylpiperidin-4-yl)methanol has a molecular weight of 193.27 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)methanol is sourced from PubChem (CID 18352755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).