2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine

C13H25NO2S — CID 106780697

IUPAC2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine
SMILESCC1CC(C2CCCC(S(C)(=O)=O)C2)CCN1
InChIInChI=1S/C13H25NO2S/c1-10-8-12(6-7-14-10)11-4-3-5-13(9-11)17(2,15)16/h10-14H,3-9H2,1-2H3
InChIKeyALIKAUSTJHYGLJ-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine

2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine (PubChem CID 106780697) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine.

Molecular Properties

Compound Name2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine
PubChem CID106780697
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine
SMILESCC1CC(C2CCCC(S(C)(=O)=O)C2)CCN1
InChIInChI=1S/C13H25NO2S/c1-10-8-12(6-7-14-10)11-4-3-5-13(9-11)17(2,15)16/h10-14H,3-9H2,1-2H3
InChIKeyALIKAUSTJHYGLJ-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-methylpiperidine
CID 82594092
(3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine
CID 104975328
(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 154934002
4-(3,4-dimethylcyclohexyl)-2-methylpiperidine
CID 106779525
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine
CID 81010799
2-methyl-4-(oxan-4-yl)piperidine
CID 106778946
1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl-ethyl-dimethyl-λ4-sulfane
CID 126695185
4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
CID 81013167
methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 168977897
4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine
CID 102954200
(3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine?
The IUPAC name of 2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine (CID 106780697) is 2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine.
What is the SMILES notation for 2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine?
The canonical SMILES for 2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine is CC1CC(C2CCCC(S(C)(=O)=O)C2)CCN1.
What is the InChIKey of 2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine?
The InChIKey is ALIKAUSTJHYGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-10-8-12(6-7-14-10)11-4-3-5-13(9-11)17(2,15)16/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine?
2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine has a molecular weight of 259.41 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine is sourced from PubChem (CID 106780697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).