6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid

C10H19NO4S — CID 112574146

IUPAC6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid
SMILESCS(=O)(=O)CCCC1CCCC(C(=O)O)N1
InChIInChI=1S/C10H19NO4S/c1-16(14,15)7-3-5-8-4-2-6-9(11-8)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyBRUPYHHPVWDOHR-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.41
Rot. Bonds5

About 6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid

6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid (PubChem CID 112574146) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid
PubChem CID112574146
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid
SMILESCS(=O)(=O)CCCC1CCCC(C(=O)O)N1
InChIInChI=1S/C10H19NO4S/c1-16(14,15)7-3-5-8-4-2-6-9(11-8)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyBRUPYHHPVWDOHR-UHFFFAOYSA-N
XLogP0.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-octylpiperidine-2-carboxylic acid
CID 112574283
2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778104
5-heptylpyrrolidine-2-carboxylic acid
CID 112574667
6-but-2-ynylpiperidine-2-carboxylic acid
CID 112574506
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid
CID 112574893
6-benzylpiperidine-2-carboxylic acid
CID 112574120
6-[(3,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 112574463
6-[(2,6-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 112574019
2-(3-methylsulfonylpropyl)cycloheptan-1-ol
CID 63196152
4-tert-butyl-2-(3-methylsulfonylpropyl)cyclohexane-1-carboxylic acid
CID 81020996
2-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63191344

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid?
The IUPAC name of 6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid (CID 112574146) is 6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid is CS(=O)(=O)CCCC1CCCC(C(=O)O)N1.
What is the InChIKey of 6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid?
The InChIKey is BRUPYHHPVWDOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-16(14,15)7-3-5-8-4-2-6-9(11-8)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid?
6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 112574146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).