3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine

C11H23NO2S — CID 59148098

IUPAC3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
SMILESCC(C)(C)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)8-10-6-5-7-12(9-10)15(4,13)14/h10H,5-9H2,1-4H3
InChIKeyDEYPLXDYCWKHEL-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.09
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine

3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine (PubChem CID 59148098) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
PubChem CID59148098
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
SMILESCC(C)(C)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)8-10-6-5-7-12(9-10)15(4,13)14/h10H,5-9H2,1-4H3
InChIKeyDEYPLXDYCWKHEL-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide
CID 88983075
2-hydroxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612929
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
3-[2-(chloromethyl)-2-ethylbutyl]-1-methylsulfonylpiperidine
CID 79622675
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine
CID 79612453
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760
3-(3-bromo-4,4-dimethylpentyl)-1-methylsulfonylpiperidine
CID 79622466
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine (CID 59148098) is 3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine is CC(C)(C)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine?
The InChIKey is DEYPLXDYCWKHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(2,3)8-10-6-5-7-12(9-10)15(4,13)14/h10H,5-9H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine?
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine has a molecular weight of 233.38 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 59148098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).