1-butylsulfonyl-4-methylpiperidin-4-ol

C10H21NO3S — CID 80702008

IUPAC1-butylsulfonyl-4-methylpiperidin-4-ol
SMILESCCCCS(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C10H21NO3S/c1-3-4-9-15(13,14)11-7-5-10(2,12)6-8-11/h12H,3-9H2,1-2H3
InChIKeyOHSHMVJTQIRIGG-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.96
Rot. Bonds4

About 1-butylsulfonyl-4-methylpiperidin-4-ol

1-butylsulfonyl-4-methylpiperidin-4-ol (PubChem CID 80702008) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-butylsulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-butylsulfonyl-4-methylpiperidin-4-ol
PubChem CID80702008
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-butylsulfonyl-4-methylpiperidin-4-ol
SMILESCCCCS(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C10H21NO3S/c1-3-4-9-15(13,14)11-7-5-10(2,12)6-8-11/h12H,3-9H2,1-2H3
InChIKeyOHSHMVJTQIRIGG-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-butylsulfonyl-4-methylpiperidin-4-ol (CID 80702008) is 1-butylsulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-butylsulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-butylsulfonyl-4-methylpiperidin-4-ol is CCCCS(=O)(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 1-butylsulfonyl-4-methylpiperidin-4-ol?
The InChIKey is OHSHMVJTQIRIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-4-9-15(13,14)11-7-5-10(2,12)6-8-11/h12H,3-9H2,1-2H3.
What are the key properties of 1-butylsulfonyl-4-methylpiperidin-4-ol?
1-butylsulfonyl-4-methylpiperidin-4-ol has a molecular weight of 235.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 80702008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).