4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine

C13H25NO3S — CID 102954200

IUPAC4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine
SMILESCC1CCNCC1OC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H25NO3S/c1-10-6-7-14-9-13(10)17-11-4-3-5-12(8-11)18(2,15)16/h10-14H,3-9H2,1-2H3
InChIKeyUPBFYOVGHLJUQU-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.36
Rot. Bonds3

About 4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine

4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine (PubChem CID 102954200) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine.

Molecular Properties

Compound Name4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine
PubChem CID102954200
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine
SMILESCC1CCNCC1OC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H25NO3S/c1-10-6-7-14-9-13(10)17-11-4-3-5-12(8-11)18(2,15)16/h10-14H,3-9H2,1-2H3
InChIKeyUPBFYOVGHLJUQU-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylcyclohexyl)oxy-4-methylpiperidine
CID 102954193
(3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568267
(3S)-3-methylsulfonylpiperidine;hydrochloride
CID 122170301
4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine
CID 64744399
3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine
CID 81197481
6-methylsulfonylazepan-4-ol
CID 170622342
2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine
CID 106780697
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine
CID 115460446
3-(3,4-dimethylcyclohexyl)oxypyrrolidine
CID 64744772
piperidin-3-yl methanesulfonate
CID 121321387
(4-methylpiperidin-3-yl) N-propan-2-ylcarbamate
CID 102954801

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine?
The IUPAC name of 4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine (CID 102954200) is 4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine.
What is the SMILES notation for 4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine?
The canonical SMILES for 4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine is CC1CCNCC1OC1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine?
The InChIKey is UPBFYOVGHLJUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-10-6-7-14-9-13(10)17-11-4-3-5-12(8-11)18(2,15)16/h10-14H,3-9H2,1-2H3.
What are the key properties of 4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine?
4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine has a molecular weight of 275.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylsulfonylcyclohexyl)oxypiperidine is sourced from PubChem (CID 102954200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).