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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Related Compounds

5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride
CID 146150570
N,2,2-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 115145402
1-(2,2-dimethylpiperidin-4-yl)-1,2,2-trimethylhydrazine
CID 19609586
[(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol
CID 99997590
cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine
CID 99997527
2,2-dimethyl-4-(oxan-4-yl)piperidine
CID 117258197
1-(2,2-dimethyl-4-methylsulfonylpiperidin-1-yl)ethanethiol
CID 167239749
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
2,2-dimethylazepane-4-carboxylic acid
CID 146013818
N-cyclopentyl-N,2,2-trimethylpiperidin-4-amine
CID 115145455
(3S)-3-methylsulfonylpiperidine;hydrochloride
CID 122170301
2,2-dimethyl-N-(oxan-4-yl)piperidin-4-amine
CID 115145389

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).