2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid

C8H10N2O4S — CID 24698584

IUPAC2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1cccnc1
InChIInChI=1S/C8H10N2O4S/c1-10(6-8(11)12)15(13,14)7-3-2-4-9-5-7/h2-5H,6H2,1H3,(H,11,12)
InChIKeyCRGOOXFMADQIBM-UHFFFAOYSA-N
MW230.25 g/mol
LogP-0.21
Rot. Bonds4

About 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid

2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid (PubChem CID 24698584) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid
PubChem CID24698584
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1cccnc1
InChIInChI=1S/C8H10N2O4S/c1-10(6-8(11)12)15(13,14)7-3-2-4-9-5-7/h2-5H,6H2,1H3,(H,11,12)
InChIKeyCRGOOXFMADQIBM-UHFFFAOYSA-N
XLogP-0.21
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid (CID 24698584) is 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1cccnc1.
What is the InChIKey of 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid?
The InChIKey is CRGOOXFMADQIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-10(6-8(11)12)15(13,14)7-3-2-4-9-5-7/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid?
2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid has a molecular weight of 230.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 24698584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).