2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol

C14H27NO3S — CID 61453789

IUPAC2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol
SMILESO=S(=O)(CC1CCCCC1)N1CCCCC1CCO
InChIInChI=1S/C14H27NO3S/c16-11-9-14-8-4-5-10-15(14)19(17,18)12-13-6-2-1-3-7-13/h13-14,16H,1-12H2
InChIKeyPAMROMPGVGZQKW-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.13
Rot. Bonds5

About 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol

2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol (PubChem CID 61453789) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol
PubChem CID61453789
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol
SMILESO=S(=O)(CC1CCCCC1)N1CCCCC1CCO
InChIInChI=1S/C14H27NO3S/c16-11-9-14-8-4-5-10-15(14)19(17,18)12-13-6-2-1-3-7-13/h13-14,16H,1-12H2
InChIKeyPAMROMPGVGZQKW-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol (CID 61453789) is 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol is O=S(=O)(CC1CCCCC1)N1CCCCC1CCO.
What is the InChIKey of 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol?
The InChIKey is PAMROMPGVGZQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c16-11-9-14-8-4-5-10-15(14)19(17,18)12-13-6-2-1-3-7-13/h13-14,16H,1-12H2.
What are the key properties of 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol?
2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol has a molecular weight of 289.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 61453789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).