1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid

C10H18N2O5S — CID 54935229

IUPAC1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCS(=O)(=O)CCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H18N2O5S/c1-18(16,17)6-4-11-10(15)12-5-2-3-8(7-12)9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyYFOWGRCETPOIGF-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.46
Rot. Bonds4

About 1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid

1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 54935229) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID54935229
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCS(=O)(=O)CCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H18N2O5S/c1-18(16,17)6-4-11-10(15)12-5-2-3-8(7-12)9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyYFOWGRCETPOIGF-UHFFFAOYSA-N
XLogP-0.46
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid (CID 54935229) is 1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid is CS(=O)(=O)CCNC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is YFOWGRCETPOIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-18(16,17)6-4-11-10(15)12-5-2-3-8(7-12)9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 54935229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).