(3R)-3-methylsulfonylpiperidine;hydrochloride

C6H14ClNO2S — CID 122170300

IUPAC(3R)-3-methylsulfonylpiperidine;hydrochloride
SMILESCS(=O)(=O)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-10(8,9)6-3-2-4-7-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyMRLKRLRBGARQIK-FYZOBXCZSA-N
MW199.70 g/mol
LogP0.20
Rot. Bonds1

About (3R)-3-methylsulfonylpiperidine;hydrochloride

(3R)-3-methylsulfonylpiperidine;hydrochloride (PubChem CID 122170300) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is (3R)-3-methylsulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-methylsulfonylpiperidine;hydrochloride
PubChem CID122170300
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name(3R)-3-methylsulfonylpiperidine;hydrochloride
SMILESCS(=O)(=O)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-10(8,9)6-3-2-4-7-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyMRLKRLRBGARQIK-FYZOBXCZSA-N
XLogP0.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylsulfonylpiperidine;hydrochloride?
The IUPAC name of (3R)-3-methylsulfonylpiperidine;hydrochloride (CID 122170300) is (3R)-3-methylsulfonylpiperidine;hydrochloride.
What is the SMILES notation for (3R)-3-methylsulfonylpiperidine;hydrochloride?
The canonical SMILES for (3R)-3-methylsulfonylpiperidine;hydrochloride is CS(=O)(=O)[C@@H]1CCCNC1.Cl.
What is the InChIKey of (3R)-3-methylsulfonylpiperidine;hydrochloride?
The InChIKey is MRLKRLRBGARQIK-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-10(8,9)6-3-2-4-7-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (3R)-3-methylsulfonylpiperidine;hydrochloride?
(3R)-3-methylsulfonylpiperidine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylsulfonylpiperidine;hydrochloride is sourced from PubChem (CID 122170300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).