3-amino-2-sulfanylpropanamide

C3H8N2OS — CID 130829110

IUPAC3-amino-2-sulfanylpropanamide
SMILESNCC(S)C(N)=O
InChIInChI=1S/C3H8N2OS/c4-1-2(7)3(5)6/h2,7H,1,4H2,(H2,5,6)
InChIKeyJTUSJDFBEWMNPM-UHFFFAOYSA-N
MW120.18 g/mol
LogP-1.27
Rot. Bonds2

About 3-amino-2-sulfanylpropanamide

3-amino-2-sulfanylpropanamide (PubChem CID 130829110) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is 3-amino-2-sulfanylpropanamide.

Molecular Properties

Compound Name3-amino-2-sulfanylpropanamide
PubChem CID130829110
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC Name3-amino-2-sulfanylpropanamide
SMILESNCC(S)C(N)=O
InChIInChI=1S/C3H8N2OS/c4-1-2(7)3(5)6/h2,7H,1,4H2,(H2,5,6)
InChIKeyJTUSJDFBEWMNPM-UHFFFAOYSA-N
XLogP-1.27
TPSA69.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-amino-2-sulfanylpropanamide?
The IUPAC name of 3-amino-2-sulfanylpropanamide (CID 130829110) is 3-amino-2-sulfanylpropanamide.
What is the SMILES notation for 3-amino-2-sulfanylpropanamide?
The canonical SMILES for 3-amino-2-sulfanylpropanamide is NCC(S)C(N)=O.
What is the InChIKey of 3-amino-2-sulfanylpropanamide?
The InChIKey is JTUSJDFBEWMNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c4-1-2(7)3(5)6/h2,7H,1,4H2,(H2,5,6).
What are the key properties of 3-amino-2-sulfanylpropanamide?
3-amino-2-sulfanylpropanamide has a molecular weight of 120.18 g/mol, XLogP of -1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-sulfanylpropanamide is sourced from PubChem (CID 130829110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).