1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid

C13H19N3O4S — CID 60913226

IUPAC1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCCc2ccncc2)CC1
InChIInChI=1S/C13H19N3O4S/c17-13(18)12-4-9-16(10-5-12)21(19,20)15-8-3-11-1-6-14-7-2-11/h1-2,6-7,12,15H,3-5,8-10H2,(H,17,18)
InChIKeyHZQCXWXTSJFLNF-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.26
Rot. Bonds6

About 1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid

1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 60913226) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID60913226
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCCc2ccncc2)CC1
InChIInChI=1S/C13H19N3O4S/c17-13(18)12-4-9-16(10-5-12)21(19,20)15-8-3-11-1-6-14-7-2-11/h1-2,6-7,12,15H,3-5,8-10H2,(H,17,18)
InChIKeyHZQCXWXTSJFLNF-UHFFFAOYSA-N
XLogP0.26
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 110245780
1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63032884
1-(2-pyrazol-1-ylethylsulfamoyl)piperidine-4-carboxylic acid
CID 61462648
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid
CID 106414979
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 106415171
2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid
CID 54947129
1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 61283284
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
(2S,3aS,7aS)-6-cyclopropylsulfonyl-N-(2-pyridin-4-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155879446
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 63827325

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid (CID 60913226) is 1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)NCCc2ccncc2)CC1.
What is the InChIKey of 1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is HZQCXWXTSJFLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-13(18)12-4-9-16(10-5-12)21(19,20)15-8-3-11-1-6-14-7-2-11/h1-2,6-7,12,15H,3-5,8-10H2,(H,17,18).
What are the key properties of 1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid?
1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 60913226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).