4-methyl-1-propylsulfonylpiperidin-4-ol

C9H19NO3S — CID 80702274

IUPAC4-methyl-1-propylsulfonylpiperidin-4-ol
SMILESCCCS(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C9H19NO3S/c1-3-8-14(12,13)10-6-4-9(2,11)5-7-10/h11H,3-8H2,1-2H3
InChIKeyOEQHSZCGNIGIGR-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds3

About 4-methyl-1-propylsulfonylpiperidin-4-ol

4-methyl-1-propylsulfonylpiperidin-4-ol (PubChem CID 80702274) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-methyl-1-propylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-propylsulfonylpiperidin-4-ol
PubChem CID80702274
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-methyl-1-propylsulfonylpiperidin-4-ol
SMILESCCCS(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C9H19NO3S/c1-3-8-14(12,13)10-6-4-9(2,11)5-7-10/h11H,3-8H2,1-2H3
InChIKeyOEQHSZCGNIGIGR-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propylsulfonylpiperidin-4-ol?
The IUPAC name of 4-methyl-1-propylsulfonylpiperidin-4-ol (CID 80702274) is 4-methyl-1-propylsulfonylpiperidin-4-ol.
What is the SMILES notation for 4-methyl-1-propylsulfonylpiperidin-4-ol?
The canonical SMILES for 4-methyl-1-propylsulfonylpiperidin-4-ol is CCCS(=O)(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-propylsulfonylpiperidin-4-ol?
The InChIKey is OEQHSZCGNIGIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-8-14(12,13)10-6-4-9(2,11)5-7-10/h11H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-propylsulfonylpiperidin-4-ol?
4-methyl-1-propylsulfonylpiperidin-4-ol has a molecular weight of 221.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propylsulfonylpiperidin-4-ol is sourced from PubChem (CID 80702274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).