2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid

C8H10N2O2S3 — CID 134347964

IUPAC2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid
SMILESNC(CS)(SSc1ccccn1)C(=O)O
InChIInChI=1S/C8H10N2O2S3/c9-8(5-13,7(11)12)15-14-6-3-1-2-4-10-6/h1-4,13H,5,9H2,(H,11,12)
InChIKeySQZTZBQBTYIANK-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.49
Rot. Bonds5

About 2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid

2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid (PubChem CID 134347964) has the molecular formula C8H10N2O2S3 and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid
PubChem CID134347964
Molecular FormulaC8H10N2O2S3
Molecular Weight262.38 g/mol
Exact Mass261.99
IUPAC Name2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid
SMILESNC(CS)(SSc1ccccn1)C(=O)O
InChIInChI=1S/C8H10N2O2S3/c9-8(5-13,7(11)12)15-14-6-3-1-2-4-10-6/h1-4,13H,5,9H2,(H,11,12)
InChIKeySQZTZBQBTYIANK-UHFFFAOYSA-N
XLogP1.49
TPSA76.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid
CID 172812475
2-(tert-butyldisulfanyl)pyridine;S-tert-butyl ethanethioate
CID 157392300
3-[hydroxy-[3-methyl-3-(pyridin-2-yldisulfanyl)butyl]phosphoryl]propanoic acid
CID 118341991
2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917690
2-(2-methylbutan-2-yldisulfanyl)pyridine
CID 88916521
2-ethyl-2-pyridin-2-ylsulfanylbutanoic acid
CID 114987627
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid
CID 91874899
4,4-dimethyl-1-(pyridin-2-yldisulfanyl)pentan-3-one
CID 87103492
4-(pyridin-2-yltrisulfanyl)butanoic acid
CID 164606651

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid?
The IUPAC name of 2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid (CID 134347964) is 2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid?
The canonical SMILES for 2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid is NC(CS)(SSc1ccccn1)C(=O)O.
What is the InChIKey of 2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid?
The InChIKey is SQZTZBQBTYIANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S3/c9-8(5-13,7(11)12)15-14-6-3-1-2-4-10-6/h1-4,13H,5,9H2,(H,11,12).
What are the key properties of 2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid?
2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid has a molecular weight of 262.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(pyridin-2-yldisulfanyl)-3-sulfanylpropanoic acid is sourced from PubChem (CID 134347964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).