1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine

C15H23NO2S — CID 91106019

IUPAC1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine
SMILESCC(C)c1cccc(C2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C15H23NO2S/c1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)19(3,17)18/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3
InChIKeyWGXXLTASFNNZFT-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.95
Rot. Bonds3

About 1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine

1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine (PubChem CID 91106019) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine
PubChem CID91106019
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine
SMILESCC(C)c1cccc(C2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C15H23NO2S/c1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)19(3,17)18/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3
InChIKeyWGXXLTASFNNZFT-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R)-1-methylsulfonylpiperidin-3-yl]benzoic acid
CID 97208003
1-methyl-3-(3-propan-2-ylphenyl)azetidine
CID 166510487
1-(3-fluorophenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79610680
1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene
CID 174725308
1-(3-cyclobutylphenyl)-2-methylsulfonylethanol
CID 115839105
3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid
CID 97191593
2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 87872491
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole
CID 110100363
3-(1-methylsulfonylazetidin-3-yl)benzoic acid
CID 170992355
(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine
CID 151743703
3-[3-chloro-2-(3-fluorophenyl)propyl]-1-methylsulfonylpiperidine
CID 79620402

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine?
The IUPAC name of 1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine (CID 91106019) is 1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine?
The canonical SMILES for 1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine is CC(C)c1cccc(C2CCCN(S(C)(=O)=O)C2)c1.
What is the InChIKey of 1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine?
The InChIKey is WGXXLTASFNNZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)19(3,17)18/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3.
What are the key properties of 1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine?
1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine has a molecular weight of 281.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 91106019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).