3-(2-sulfanylethylamino)propanamide;hydrobromide

C5H13BrN2OS — CID 3079261

IUPAC3-(2-sulfanylethylamino)propanamide;hydrobromide
SMILESBr.NC(=O)CCNCCS
InChIInChI=1S/C5H12N2OS.BrH/c6-5(8)1-2-7-3-4-9;/h7,9H,1-4H2,(H2,6,8);1H
InChIKeyMTVICJLSZWUMDV-UHFFFAOYSA-N
MW229.14 g/mol
LogP-0.04
Rot. Bonds5

About 3-(2-sulfanylethylamino)propanamide;hydrobromide

3-(2-sulfanylethylamino)propanamide;hydrobromide (PubChem CID 3079261) has the molecular formula C5H13BrN2OS and a molecular weight of 229.14 g/mol. Its IUPAC name is 3-(2-sulfanylethylamino)propanamide;hydrobromide.

Molecular Properties

Compound Name3-(2-sulfanylethylamino)propanamide;hydrobromide
PubChem CID3079261
Molecular FormulaC5H13BrN2OS
Molecular Weight229.14 g/mol
Exact Mass227.99
IUPAC Name3-(2-sulfanylethylamino)propanamide;hydrobromide
SMILESBr.NC(=O)CCNCCS
InChIInChI=1S/C5H12N2OS.BrH/c6-5(8)1-2-7-3-4-9;/h7,9H,1-4H2,(H2,6,8);1H
InChIKeyMTVICJLSZWUMDV-UHFFFAOYSA-N
XLogP-0.04
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 5-0.04
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;hydrobromide?
The IUPAC name of 3-(2-sulfanylethylamino)propanamide;hydrobromide (CID 3079261) is 3-(2-sulfanylethylamino)propanamide;hydrobromide.
What is the SMILES notation for 3-(2-sulfanylethylamino)propanamide;hydrobromide?
The canonical SMILES for 3-(2-sulfanylethylamino)propanamide;hydrobromide is Br.NC(=O)CCNCCS.
What is the InChIKey of 3-(2-sulfanylethylamino)propanamide;hydrobromide?
The InChIKey is MTVICJLSZWUMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS.BrH/c6-5(8)1-2-7-3-4-9;/h7,9H,1-4H2,(H2,6,8);1H.
What are the key properties of 3-(2-sulfanylethylamino)propanamide;hydrobromide?
3-(2-sulfanylethylamino)propanamide;hydrobromide has a molecular weight of 229.14 g/mol, XLogP of -0.04, 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;hydrobromide is sourced from PubChem (CID 3079261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).