2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol

C16H31NO3S — CID 79540007

IUPAC2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol
SMILESCC(C)(C)CS(=O)(=O)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H31NO3S/c1-16(2,3)12-21(19,20)17-11-7-6-9-14(17)13-8-4-5-10-15(13)18/h13-15,18H,4-12H2,1-3H3
InChIKeyCRSIREBKOJVBBW-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.77
Rot. Bonds3

About 2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol

2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol (PubChem CID 79540007) has the molecular formula C16H31NO3S and a molecular weight of 317.50 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol
PubChem CID79540007
Molecular FormulaC16H31NO3S
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Name2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol
SMILESCC(C)(C)CS(=O)(=O)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H31NO3S/c1-16(2,3)12-21(19,20)17-11-7-6-9-14(17)13-8-4-5-10-15(13)18/h13-15,18H,4-12H2,1-3H3
InChIKeyCRSIREBKOJVBBW-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol (CID 79540007) is 2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol is CC(C)(C)CS(=O)(=O)N1CCCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is CRSIREBKOJVBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3S/c1-16(2,3)12-21(19,20)17-11-7-6-9-14(17)13-8-4-5-10-15(13)18/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol?
2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 317.50 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 79540007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).