1-(cyclohexylmethylsulfonyl)piperidin-3-ol

C12H23NO3S — CID 54947418

IUPAC1-(cyclohexylmethylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(CC1CCCCC1)N1CCCC(O)C1
InChIInChI=1S/C12H23NO3S/c14-12-7-4-8-13(9-12)17(15,16)10-11-5-2-1-3-6-11/h11-12,14H,1-10H2
InChIKeyRRFHISNIMSIWCL-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.35
Rot. Bonds3

About 1-(cyclohexylmethylsulfonyl)piperidin-3-ol

1-(cyclohexylmethylsulfonyl)piperidin-3-ol (PubChem CID 54947418) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfonyl)piperidin-3-ol
PubChem CID54947418
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-(cyclohexylmethylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(CC1CCCCC1)N1CCCC(O)C1
InChIInChI=1S/C12H23NO3S/c14-12-7-4-8-13(9-12)17(15,16)10-11-5-2-1-3-6-11/h11-12,14H,1-10H2
InChIKeyRRFHISNIMSIWCL-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylsulfonyl)piperidin-3-ol?
The IUPAC name of 1-(cyclohexylmethylsulfonyl)piperidin-3-ol (CID 54947418) is 1-(cyclohexylmethylsulfonyl)piperidin-3-ol.
What is the SMILES notation for 1-(cyclohexylmethylsulfonyl)piperidin-3-ol?
The canonical SMILES for 1-(cyclohexylmethylsulfonyl)piperidin-3-ol is O=S(=O)(CC1CCCCC1)N1CCCC(O)C1.
What is the InChIKey of 1-(cyclohexylmethylsulfonyl)piperidin-3-ol?
The InChIKey is RRFHISNIMSIWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c14-12-7-4-8-13(9-12)17(15,16)10-11-5-2-1-3-6-11/h11-12,14H,1-10H2.
What are the key properties of 1-(cyclohexylmethylsulfonyl)piperidin-3-ol?
1-(cyclohexylmethylsulfonyl)piperidin-3-ol has a molecular weight of 261.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfonyl)piperidin-3-ol is sourced from PubChem (CID 54947418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).