4-(2-methylsulfonylethyl)piperidine;hydrochloride

C8H18ClNO2S — CID 66649711

IUPAC4-(2-methylsulfonylethyl)piperidine;hydrochloride
SMILESCS(=O)(=O)CCC1CCNCC1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-12(10,11)7-4-8-2-5-9-6-3-8;/h8-9H,2-7H2,1H3;1H
InChIKeyMHTSMLFTAFKYOK-UHFFFAOYSA-N
MW227.76 g/mol
LogP0.84
Rot. Bonds3

About 4-(2-methylsulfonylethyl)piperidine;hydrochloride

4-(2-methylsulfonylethyl)piperidine;hydrochloride (PubChem CID 66649711) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is 4-(2-methylsulfonylethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2-methylsulfonylethyl)piperidine;hydrochloride
PubChem CID66649711
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name4-(2-methylsulfonylethyl)piperidine;hydrochloride
SMILESCS(=O)(=O)CCC1CCNCC1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-12(10,11)7-4-8-2-5-9-6-3-8;/h8-9H,2-7H2,1H3;1H
InChIKeyMHTSMLFTAFKYOK-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
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3-Methanesulfonylpiperidine
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4-(Methanesulfonylmethyl)piperidine hydrochloride
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4-(Propane-1-sulfonyl)piperidine hydrochloride
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4-(Ethanesulfonyl)piperidine hydrochloride
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4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
2-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 72716379
4-(Methanesulfonyl)piperidine
CID 22275038
2,2-Diethyl-1lambda4-thiomorpholin-1-one hydrochloride
CID 75457891
2,2-Diethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75478254
3-Thia-9-azaspiro[5.5]undecane 3,3-dioxide hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethyl)piperidine;hydrochloride?
The IUPAC name of 4-(2-methylsulfonylethyl)piperidine;hydrochloride (CID 66649711) is 4-(2-methylsulfonylethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2-methylsulfonylethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2-methylsulfonylethyl)piperidine;hydrochloride is CS(=O)(=O)CCC1CCNCC1.Cl.
What is the InChIKey of 4-(2-methylsulfonylethyl)piperidine;hydrochloride?
The InChIKey is MHTSMLFTAFKYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.ClH/c1-12(10,11)7-4-8-2-5-9-6-3-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 4-(2-methylsulfonylethyl)piperidine;hydrochloride?
4-(2-methylsulfonylethyl)piperidine;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 0.84, 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;hydrochloride is sourced from PubChem (CID 66649711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).