3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide

C11H14N2OS — CID 28942511

IUPAC3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
SMILESCCc1cccc(NC(=O)CC(N)=S)c1
InChIInChI=1S/C11H14N2OS/c1-2-8-4-3-5-9(6-8)13-11(14)7-10(12)15/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyOWQOWZZKKQBEKL-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.86
Rot. Bonds4

About 3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide

3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide (PubChem CID 28942511) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
PubChem CID28942511
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
SMILESCCc1cccc(NC(=O)CC(N)=S)c1
InChIInChI=1S/C11H14N2OS/c1-2-8-4-3-5-9(6-8)13-11(14)7-10(12)15/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyOWQOWZZKKQBEKL-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.86
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

2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide
CID 16785552
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
N-(3-ethylphenyl)decanamide
CID 4053743
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62876522
1-amino-3-(3-ethylphenyl)-1-methylthiourea
CID 86133314
(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
CID 119312061
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
N-(3-ethylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770107
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide (CID 28942511) is 3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide is CCc1cccc(NC(=O)CC(N)=S)c1.
What is the InChIKey of 3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide?
The InChIKey is OWQOWZZKKQBEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-8-4-3-5-9(6-8)13-11(14)7-10(12)15/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide?
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide has a molecular weight of 222.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 28942511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).