3-(2-sulfanylethylamino)propanamide

C5H12N2OS — CID 13939

IUPAC3-(2-sulfanylethylamino)propanamide
SMILESNC(=O)CCNCCS
InChIInChI=1S/C5H12N2OS/c6-5(8)1-2-7-3-4-9/h7,9H,1-4H2,(H2,6,8)
InChIKeyNJEUWMNDELODJE-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.62
Rot. Bonds5

About 3-(2-sulfanylethylamino)propanamide

3-(2-sulfanylethylamino)propanamide (PubChem CID 13939) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 3-(2-sulfanylethylamino)propanamide.

Molecular Properties

Compound Name3-(2-sulfanylethylamino)propanamide
PubChem CID13939
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name3-(2-sulfanylethylamino)propanamide
SMILESNC(=O)CCNCCS
InChIInChI=1S/C5H12N2OS/c6-5(8)1-2-7-3-4-9/h7,9H,1-4H2,(H2,6,8)
InChIKeyNJEUWMNDELODJE-UHFFFAOYSA-N
XLogP-0.62
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfanylethylamino)propanamide?
The IUPAC name of 3-(2-sulfanylethylamino)propanamide (CID 13939) is 3-(2-sulfanylethylamino)propanamide.
What is the SMILES notation for 3-(2-sulfanylethylamino)propanamide?
The canonical SMILES for 3-(2-sulfanylethylamino)propanamide is NC(=O)CCNCCS.
What is the InChIKey of 3-(2-sulfanylethylamino)propanamide?
The InChIKey is NJEUWMNDELODJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c6-5(8)1-2-7-3-4-9/h7,9H,1-4H2,(H2,6,8).
What are the key properties of 3-(2-sulfanylethylamino)propanamide?
3-(2-sulfanylethylamino)propanamide has a molecular weight of 148.23 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfanylethylamino)propanamide is sourced from PubChem (CID 13939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).