3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine

C11H23NO2S — CID 146550207

IUPAC3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine
SMILESCCC(C)(C)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H23NO2S/c1-5-11(2,3)10-7-6-8-12(9-10)15(4,13)14/h10H,5-9H2,1-4H3
InChIKeyMYOMNGWHNWNGMC-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.09
Rot. Bonds3

About 3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine

3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine (PubChem CID 146550207) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine
PubChem CID146550207
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine
SMILESCCC(C)(C)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H23NO2S/c1-5-11(2,3)10-7-6-8-12(9-10)15(4,13)14/h10H,5-9H2,1-4H3
InChIKeyMYOMNGWHNWNGMC-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfonyl-3-(trifluoromethyl)piperidine
CID 3646972
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760
8-(2-methylbutan-2-yl)-3-methylsulfonyl-3-azabicyclo[3.2.1]octane
CID 167170552
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 170226749
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
3-[2-(chloromethyl)-2-ethylbutyl]-1-methylsulfonylpiperidine
CID 79622675
1-[ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 115278735
3-methoxy-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116746747
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 79610035
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79610749

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine?
The IUPAC name of 3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine (CID 146550207) is 3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine?
The canonical SMILES for 3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine is CCC(C)(C)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine?
The InChIKey is MYOMNGWHNWNGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-11(2,3)10-7-6-8-12(9-10)15(4,13)14/h10H,5-9H2,1-4H3.
What are the key properties of 3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine?
3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine has a molecular weight of 233.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 146550207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).