4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol

C11H23NO3S — CID 81103103

IUPAC4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol
SMILESCC(C)CCS(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H23NO3S/c1-10(2)4-9-16(14,15)12-7-5-11(3,13)6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyCGWSEPFYUPHGFD-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.21
Rot. Bonds4

About 4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol

4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol (PubChem CID 81103103) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol
PubChem CID81103103
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol
SMILESCC(C)CCS(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H23NO3S/c1-10(2)4-9-16(14,15)12-7-5-11(3,13)6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyCGWSEPFYUPHGFD-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol (CID 81103103) is 4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol is CC(C)CCS(=O)(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol?
The InChIKey is CGWSEPFYUPHGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2)4-9-16(14,15)12-7-5-11(3,13)6-8-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol?
4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol has a molecular weight of 249.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 81103103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).