2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid

C8H10N2O4S — CID 107584611

IUPAC2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
SMILESCc1cncc(NS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C8H10N2O4S/c1-6-2-7(4-9-3-6)10-15(13,14)5-8(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyPIAKCVYVAJHKOY-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.22
Rot. Bonds4

About 2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid

2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid (PubChem CID 107584611) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
PubChem CID107584611
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
SMILESCc1cncc(NS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C8H10N2O4S/c1-6-2-7(4-9-3-6)10-15(13,14)5-8(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyPIAKCVYVAJHKOY-UHFFFAOYSA-N
XLogP0.22
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-(5-methyl-3-pyridinyl)ethanesulfonamide;ethane
CID 145106836
2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid
CID 107571632
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 143921222
3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
CID 106088035
1-(2-chlorophenyl)-N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 110727363
2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584612
ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
CID 145106847
2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107265702
2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107265722
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953
methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate
CID 107584640

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid (CID 107584611) is 2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid is Cc1cncc(NS(=O)(=O)CC(=O)O)c1.
What is the InChIKey of 2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid?
The InChIKey is PIAKCVYVAJHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-6-2-7(4-9-3-6)10-15(13,14)5-8(11)12/h2-4,10H,5H2,1H3,(H,11,12).
What are the key properties of 2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid?
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid has a molecular weight of 230.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid is sourced from PubChem (CID 107584611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).