4-(2-methylsulfonylethyl)piperidine

C8H17NO2S — CID 59452715

IUPAC4-(2-methylsulfonylethyl)piperidine
SMILESCS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)7-4-8-2-5-9-6-3-8/h8-9H,2-7H2,1H3
InChIKeyIYPBRMQKQBSORO-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.42
Rot. Bonds3

About 4-(2-methylsulfonylethyl)piperidine

4-(2-methylsulfonylethyl)piperidine (PubChem CID 59452715) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-(2-methylsulfonylethyl)piperidine
PubChem CID59452715
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-(2-methylsulfonylethyl)piperidine
SMILESCS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)7-4-8-2-5-9-6-3-8/h8-9H,2-7H2,1H3
InChIKeyIYPBRMQKQBSORO-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 4-(2-methylsulfonylethyl)piperidine (CID 59452715) is 4-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 4-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 4-(2-methylsulfonylethyl)piperidine is CS(=O)(=O)CCC1CCNCC1.
What is the InChIKey of 4-(2-methylsulfonylethyl)piperidine?
The InChIKey is IYPBRMQKQBSORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-12(10,11)7-4-8-2-5-9-6-3-8/h8-9H,2-7H2,1H3.
What are the key properties of 4-(2-methylsulfonylethyl)piperidine?
4-(2-methylsulfonylethyl)piperidine has a molecular weight of 191.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 59452715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).