2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid

C8H11N3O4S — CID 107339875

IUPAC2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
SMILESCNS(=O)(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C8H11N3O4S/c1-9-16(14,15)11-7-3-2-6(10-5-7)4-8(12)13/h2-3,5,9,11H,4H2,1H3,(H,12,13)
InChIKeyMDYUZPZOLUKBCW-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.42
Rot. Bonds5

About 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid

2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid (PubChem CID 107339875) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
PubChem CID107339875
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
SMILESCNS(=O)(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C8H11N3O4S/c1-9-16(14,15)11-7-3-2-6(10-5-7)4-8(12)13/h2-3,5,9,11H,4H2,1H3,(H,12,13)
InChIKeyMDYUZPZOLUKBCW-UHFFFAOYSA-N
XLogP-0.42
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
2-Pyridineacetic acid
CID 85318
Methyl 2-pyridylacetate
CID 74264
Ethyl 2-pyridylacetate
CID 75960
Butyl 2-(pyridin-2-yl)acetate
CID 14936493
2-(Pyridin-2-yl)propanoic acid
CID 19075788
Methyl (5-nitropyridin-2-yl)acetate
CID 51341867
3-(5-Aminopyridin-2-yl)propanoic acid
CID 14989642
Ethyl 2-(3-aminopyridin-2-yl)acetate
CID 15475339
Ethyl 2-(5-aminopyridin-2-yl)acetate
CID 21876034
Ethyl 5-amino-2-pyridinepropanoate
CID 23349309
Methyl 3-amino-3-(pyridin-2-yl)propanoate dihydrochloride
CID 42614494

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid (CID 107339875) is 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid is CNS(=O)(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid?
The InChIKey is MDYUZPZOLUKBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-9-16(14,15)11-7-3-2-6(10-5-7)4-8(12)13/h2-3,5,9,11H,4H2,1H3,(H,12,13).
What are the key properties of 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid?
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid has a molecular weight of 245.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).