1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol

C15H29NO3S — CID 79539544

IUPAC1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C15H29NO3S/c1-13(17)11-15-9-5-6-10-16(15)20(18,19)12-14-7-3-2-4-8-14/h13-15,17H,2-12H2,1H3
InChIKeyUPUYYMAGHGEBOE-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.52
Rot. Bonds5

About 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol

1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol (PubChem CID 79539544) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol
PubChem CID79539544
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C15H29NO3S/c1-13(17)11-15-9-5-6-10-16(15)20(18,19)12-14-7-3-2-4-8-14/h13-15,17H,2-12H2,1H3
InChIKeyUPUYYMAGHGEBOE-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol (CID 79539544) is 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol?
The InChIKey is UPUYYMAGHGEBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-13(17)11-15-9-5-6-10-16(15)20(18,19)12-14-7-3-2-4-8-14/h13-15,17H,2-12H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol?
1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol has a molecular weight of 303.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 79539544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).