[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol

C11H23NO3S — CID 63856417

IUPAC[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol
SMILESCC(C)CCS(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H23NO3S/c1-10(2)5-8-16(14,15)12-6-3-11(9-13)4-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyNXGHXKBBXQZMDK-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.07
Rot. Bonds5

About [1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol

[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol (PubChem CID 63856417) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is [1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol
PubChem CID63856417
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol
SMILESCC(C)CCS(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H23NO3S/c1-10(2)5-8-16(14,15)12-6-3-11(9-13)4-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyNXGHXKBBXQZMDK-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
3-[1-(3-methylbutylsulfonyl)piperidin-4-yl]propanoic acid
CID 63855675
1-[1-(3-methylbutylsulfonyl)piperidin-4-yl]ethanone
CID 63846086
[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119972217
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
1-(3-methylbutylsulfonyl)azetidin-3-ol
CID 63857866
[1-(chloromethylsulfonyl)piperidin-4-yl]methanol
CID 63664501
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789
1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
CID 63834582
[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol
CID 128512728
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol (CID 63856417) is [1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol is CC(C)CCS(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of [1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol?
The InChIKey is NXGHXKBBXQZMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2)5-8-16(14,15)12-6-3-11(9-13)4-7-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of [1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol?
[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol has a molecular weight of 249.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol is sourced from PubChem (CID 63856417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).