3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide

C9H9BrN2OS — CID 28942474

IUPAC3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C9H9BrN2OS/c10-6-3-1-2-4-7(6)12-9(13)5-8(11)14/h1-4H,5H2,(H2,11,14)(H,12,13)
InChIKeyLRDGHKKJASVTTR-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.06
Rot. Bonds3

About 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide

3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide (PubChem CID 28942474) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
PubChem CID28942474
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C9H9BrN2OS/c10-6-3-1-2-4-7(6)12-9(13)5-8(11)14/h1-4H,5H2,(H2,11,14)(H,12,13)
InChIKeyLRDGHKKJASVTTR-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
N-(2-bromophenyl)butanamide
CID 732405
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N-(2-bromophenyl)acetamide
CID 54991682
N-(2-bromophenyl)-2-isocyanoacetamide
CID 108814850
[2-(2-bromoanilino)-2-oxoethyl]-methylazanium
CID 2414095
4-(2-bromoanilino)-4-oxobutanoate
CID 6935665
N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide
CID 88700138
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide
CID 63285065
(2-bromophenyl)carbamic acid
CID 15021878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide (CID 28942474) is 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide is NC(=S)CC(=O)Nc1ccccc1Br.
What is the InChIKey of 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide?
The InChIKey is LRDGHKKJASVTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c10-6-3-1-2-4-7(6)12-9(13)5-8(11)14/h1-4H,5H2,(H2,11,14)(H,12,13).
What are the key properties of 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide?
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide has a molecular weight of 273.16 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 28942474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).