3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol

C9H19NO3S — CID 68749210

IUPAC3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol
SMILESCS(=O)(=O)N1CCC(CCCO)CC1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)10-6-4-9(5-7-10)3-2-8-11/h9,11H,2-8H2,1H3
InChIKeyRQMZSLIXJFUATB-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.43
Rot. Bonds4

About 3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol

3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol (PubChem CID 68749210) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol
PubChem CID68749210
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol
SMILESCS(=O)(=O)N1CCC(CCCO)CC1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)10-6-4-9(5-7-10)3-2-8-11/h9,11H,2-8H2,1H3
InChIKeyRQMZSLIXJFUATB-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol?
The IUPAC name of 3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol (CID 68749210) is 3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for 3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol is CS(=O)(=O)N1CCC(CCCO)CC1.
What is the InChIKey of 3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol?
The InChIKey is RQMZSLIXJFUATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-14(12,13)10-6-4-9(5-7-10)3-2-8-11/h9,11H,2-8H2,1H3.
What are the key properties of 3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol?
3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol has a molecular weight of 221.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 68749210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).