3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid

C7H9NO2S2 — CID 22229337

IUPAC3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid
SMILESO=C(O)C(CS)Nc1cccs1
InChIInChI=1S/C7H9NO2S2/c9-7(10)5(4-11)8-6-2-1-3-12-6/h1-3,5,8,11H,4H2,(H,9,10)
InChIKeySAYSIHOTHTZOPQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.54
Rot. Bonds4

About 3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid

3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid (PubChem CID 22229337) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid
PubChem CID22229337
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Name3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid
SMILESO=C(O)C(CS)Nc1cccs1
InChIInChI=1S/C7H9NO2S2/c9-7(10)5(4-11)8-6-2-1-3-12-6/h1-3,5,8,11H,4H2,(H,9,10)
InChIKeySAYSIHOTHTZOPQ-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid?
The IUPAC name of 3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid (CID 22229337) is 3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid.
What is the SMILES notation for 3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid?
The canonical SMILES for 3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid is O=C(O)C(CS)Nc1cccs1.
What is the InChIKey of 3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid?
The InChIKey is SAYSIHOTHTZOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c9-7(10)5(4-11)8-6-2-1-3-12-6/h1-3,5,8,11H,4H2,(H,9,10).
What are the key properties of 3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid?
3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid has a molecular weight of 203.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid is sourced from PubChem (CID 22229337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).