2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid

C13H19N3O4S — CID 107339881

IUPAC2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid
SMILESCC1CCN(S(=O)(=O)Nc2ccc(CC(=O)O)nc2)CC1
InChIInChI=1S/C13H19N3O4S/c1-10-4-6-16(7-5-10)21(19,20)15-12-3-2-11(14-9-12)8-13(17)18/h2-3,9-10,15H,4-8H2,1H3,(H,17,18)
InChIKeyVBLDKFRAENUKAM-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.10
Rot. Bonds5

About 2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid

2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid (PubChem CID 107339881) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid
PubChem CID107339881
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid
SMILESCC1CCN(S(=O)(=O)Nc2ccc(CC(=O)O)nc2)CC1
InChIInChI=1S/C13H19N3O4S/c1-10-4-6-16(7-5-10)21(19,20)15-12-3-2-11(14-9-12)8-13(17)18/h2-3,9-10,15H,4-8H2,1H3,(H,17,18)
InChIKeyVBLDKFRAENUKAM-UHFFFAOYSA-N
XLogP1.10
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
CID 107339762
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid
CID 107339792
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107340803
2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
CID 107339728

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid (CID 107339881) is 2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid is CC1CCN(S(=O)(=O)Nc2ccc(CC(=O)O)nc2)CC1.
What is the InChIKey of 2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The InChIKey is VBLDKFRAENUKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10-4-6-16(7-5-10)21(19,20)15-12-3-2-11(14-9-12)8-13(17)18/h2-3,9-10,15H,4-8H2,1H3,(H,17,18).
What are the key properties of 2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid?
2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid has a molecular weight of 313.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).