4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride

C7H14ClNO4S — CID 140579395

IUPAC4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride
SMILESCS(=O)(=O)C1(C(=O)O)CCNCC1.Cl
InChIInChI=1S/C7H13NO4S.ClH/c1-13(11,12)7(6(9)10)2-4-8-5-3-7;/h8H,2-5H2,1H3,(H,9,10);1H
InChIKeyFOJNWCAJAMLMOR-UHFFFAOYSA-N
MW243.71 g/mol
LogP-0.34
Rot. Bonds2

About 4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride

4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 140579395) has the molecular formula C7H14ClNO4S and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID140579395
Molecular FormulaC7H14ClNO4S
Molecular Weight243.71 g/mol
Exact Mass243.03
IUPAC Name4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride
SMILESCS(=O)(=O)C1(C(=O)O)CCNCC1.Cl
InChIInChI=1S/C7H13NO4S.ClH/c1-13(11,12)7(6(9)10)2-4-8-5-3-7;/h8H,2-5H2,1H3,(H,9,10);1H
InChIKeyFOJNWCAJAMLMOR-UHFFFAOYSA-N
XLogP-0.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride (CID 140579395) is 4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride is CS(=O)(=O)C1(C(=O)O)CCNCC1.Cl.
What is the InChIKey of 4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is FOJNWCAJAMLMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S.ClH/c1-13(11,12)7(6(9)10)2-4-8-5-3-7;/h8H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of 4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride?
4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 243.71 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 140579395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).