2,2-dimethyl-4-methylsulfonylpiperidine

C8H17NO2S — CID 118615851

IUPAC2,2-dimethyl-4-methylsulfonylpiperidine
SMILESCC1(C)CC(S(C)(=O)=O)CCN1
InChIInChI=1S/C8H17NO2S/c1-8(2)6-7(4-5-9-8)12(3,10)11/h7,9H,4-6H2,1-3H3
InChIKeyJTDNQXNINMDPPC-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds1

About 2,2-dimethyl-4-methylsulfonylpiperidine

2,2-dimethyl-4-methylsulfonylpiperidine (PubChem CID 118615851) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name2,2-dimethyl-4-methylsulfonylpiperidine
PubChem CID118615851
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2,2-dimethyl-4-methylsulfonylpiperidine
SMILESCC1(C)CC(S(C)(=O)=O)CCN1
InChIInChI=1S/C8H17NO2S/c1-8(2)6-7(4-5-9-8)12(3,10)11/h7,9H,4-6H2,1-3H3
InChIKeyJTDNQXNINMDPPC-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-methylsulfonylpiperidine?
The IUPAC name of 2,2-dimethyl-4-methylsulfonylpiperidine (CID 118615851) is 2,2-dimethyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 2,2-dimethyl-4-methylsulfonylpiperidine?
The canonical SMILES for 2,2-dimethyl-4-methylsulfonylpiperidine is CC1(C)CC(S(C)(=O)=O)CCN1.
What is the InChIKey of 2,2-dimethyl-4-methylsulfonylpiperidine?
The InChIKey is JTDNQXNINMDPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2)6-7(4-5-9-8)12(3,10)11/h7,9H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-methylsulfonylpiperidine?
2,2-dimethyl-4-methylsulfonylpiperidine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 118615851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).