2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid

C8H8N2O3S — CID 129245196

IUPAC2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H8N2O3S/c11-6(12)4-10-7(13)5-2-1-3-9-8(5)14/h1-3H,4H2,(H,9,14)(H,10,13)(H,11,12)
InChIKeyLJJOEVWTSMQPDV-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.56
Rot. Bonds3

About 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid

2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid (PubChem CID 129245196) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid
PubChem CID129245196
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H8N2O3S/c11-6(12)4-10-7(13)5-2-1-3-9-8(5)14/h1-3H,4H2,(H,9,14)(H,10,13)(H,11,12)
InChIKeyLJJOEVWTSMQPDV-UHFFFAOYSA-N
XLogP0.56
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Glycine, N-(2-hydroxynicotinoyl)-
CID 53562
methyl 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetate
CID 37714374
ethyl 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetate
CID 47329290
2-(1,2-Dihydropyridine-3-carbonylamino)-2-oxoacetic acid
CID 68625069
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78856548
N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 87674263
N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537340
N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537359
ethyl 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]propanoate
CID 88537649
ethyl (2S)-2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]propanoate
CID 88537650
N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88873602
ethyl 2-[methyl-(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetate
CID 129245210

Frequently Asked Questions

What is the IUPAC name of 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid (CID 129245196) is 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid?
The InChIKey is LJJOEVWTSMQPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c11-6(12)4-10-7(13)5-2-1-3-9-8(5)14/h1-3H,4H2,(H,9,14)(H,10,13)(H,11,12).
What are the key properties of 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid?
2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid has a molecular weight of 212.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 129245196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).