(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine

C13H25NO2S — CID 59085915

IUPAC(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H25NO2S/c1-12-7-5-6-10-14(12)17(15,16)11-13-8-3-2-4-9-13/h12-13H,2-11H2,1H3/t12-/m1/s1
InChIKeyIKBQNYHLVYIOQO-GFCCVEGCSA-N
MW259.41 g/mol
LogP2.77
Rot. Bonds3

About (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine

(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine (PubChem CID 59085915) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine
PubChem CID59085915
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H25NO2S/c1-12-7-5-6-10-14(12)17(15,16)11-13-8-3-2-4-9-13/h12-13H,2-11H2,1H3/t12-/m1/s1
InChIKeyIKBQNYHLVYIOQO-GFCCVEGCSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine?
The IUPAC name of (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine (CID 59085915) is (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine.
What is the SMILES notation for (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine?
The canonical SMILES for (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine is C[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine?
The InChIKey is IKBQNYHLVYIOQO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-12-7-5-6-10-14(12)17(15,16)11-13-8-3-2-4-9-13/h12-13H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine?
(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine has a molecular weight of 259.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperidine is sourced from PubChem (CID 59085915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).