3,3-dimethyl-1-methylsulfonylpiperidine

C8H17NO2S — CID 56919421

IUPAC3,3-dimethyl-1-methylsulfonylpiperidine
SMILESCC1(C)CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-8(2)5-4-6-9(7-8)12(3,10)11/h4-7H2,1-3H3
InChIKeyQBXRICXYBCTWDD-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds1

About 3,3-dimethyl-1-methylsulfonylpiperidine

3,3-dimethyl-1-methylsulfonylpiperidine (PubChem CID 56919421) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-methylsulfonylpiperidine
PubChem CID56919421
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3,3-dimethyl-1-methylsulfonylpiperidine
SMILESCC1(C)CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-8(2)5-4-6-9(7-8)12(3,10)11/h4-7H2,1-3H3
InChIKeyQBXRICXYBCTWDD-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-methylsulfonylpiperidine?
The IUPAC name of 3,3-dimethyl-1-methylsulfonylpiperidine (CID 56919421) is 3,3-dimethyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 3,3-dimethyl-1-methylsulfonylpiperidine?
The canonical SMILES for 3,3-dimethyl-1-methylsulfonylpiperidine is CC1(C)CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3,3-dimethyl-1-methylsulfonylpiperidine?
The InChIKey is QBXRICXYBCTWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2)5-4-6-9(7-8)12(3,10)11/h4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-methylsulfonylpiperidine?
3,3-dimethyl-1-methylsulfonylpiperidine has a molecular weight of 191.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 56919421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).