2-(2-methylsulfonylethyl)piperidine;hydrochloride

C8H18ClNO2S — CID 72716379

IUPAC2-(2-methylsulfonylethyl)piperidine;hydrochloride
SMILESCS(=O)(=O)CCC1CCCCN1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-12(10,11)7-5-8-4-2-3-6-9-8;/h8-9H,2-7H2,1H3;1H
InChIKeyCKTLXPMSKXNHQN-UHFFFAOYSA-N
MW227.76 g/mol
LogP0.99
Rot. Bonds3

About 2-(2-methylsulfonylethyl)piperidine;hydrochloride

2-(2-methylsulfonylethyl)piperidine;hydrochloride (PubChem CID 72716379) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-(2-methylsulfonylethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylsulfonylethyl)piperidine;hydrochloride
PubChem CID72716379
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name2-(2-methylsulfonylethyl)piperidine;hydrochloride
SMILESCS(=O)(=O)CCC1CCCCN1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-12(10,11)7-5-8-4-2-3-6-9-8;/h8-9H,2-7H2,1H3;1H
InChIKeyCKTLXPMSKXNHQN-UHFFFAOYSA-N
XLogP0.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethyl)piperidine;hydrochloride?
The IUPAC name of 2-(2-methylsulfonylethyl)piperidine;hydrochloride (CID 72716379) is 2-(2-methylsulfonylethyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(2-methylsulfonylethyl)piperidine;hydrochloride?
The canonical SMILES for 2-(2-methylsulfonylethyl)piperidine;hydrochloride is CS(=O)(=O)CCC1CCCCN1.Cl.
What is the InChIKey of 2-(2-methylsulfonylethyl)piperidine;hydrochloride?
The InChIKey is CKTLXPMSKXNHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.ClH/c1-12(10,11)7-5-8-4-2-3-6-9-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 2-(2-methylsulfonylethyl)piperidine;hydrochloride?
2-(2-methylsulfonylethyl)piperidine;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethyl)piperidine;hydrochloride is sourced from PubChem (CID 72716379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).