3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide

C10H11BrN2OS — CID 63334451

IUPAC3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
SMILESCc1ccc(NC(=O)CC(N)=S)cc1Br
InChIInChI=1S/C10H11BrN2OS/c1-6-2-3-7(4-8(6)11)13-10(14)5-9(12)15/h2-4H,5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyRVMMAUXHFSRQMG-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.37
Rot. Bonds3

About 3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide

3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide (PubChem CID 63334451) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
PubChem CID63334451
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
SMILESCc1ccc(NC(=O)CC(N)=S)cc1Br
InChIInChI=1S/C10H11BrN2OS/c1-6-2-3-7(4-8(6)11)13-10(14)5-9(12)15/h2-4H,5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyRVMMAUXHFSRQMG-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
N-(3-bromo-4-methylphenyl)-2-carbamothioylbutanamide
CID 63334620
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
ethyl N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]carbamate
CID 112998523
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953864
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943352

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide (CID 63334451) is 3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide is Cc1ccc(NC(=O)CC(N)=S)cc1Br.
What is the InChIKey of 3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide?
The InChIKey is RVMMAUXHFSRQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-6-2-3-7(4-8(6)11)13-10(14)5-9(12)15/h2-4H,5H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide?
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide has a molecular weight of 287.18 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 63334451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).