3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide

C9H11N3O3S2 — CID 28942449

IUPAC3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H11N3O3S2/c10-8(16)5-9(13)12-6-2-1-3-7(4-6)17(11,14)15/h1-4H,5H2,(H2,10,16)(H,12,13)(H2,11,14,15)
InChIKeyKAQIJVIMNJOWHI-UHFFFAOYSA-N
MW273.34 g/mol
LogP-0.05
Rot. Bonds4

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

3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide (PubChem CID 28942449) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
PubChem CID28942449
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC Name3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H11N3O3S2/c10-8(16)5-9(13)12-6-2-1-3-7(4-6)17(11,14)15/h1-4H,5H2,(H2,10,16)(H,12,13)(H2,11,14,15)
InChIKeyKAQIJVIMNJOWHI-UHFFFAOYSA-N
XLogP-0.05
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide
CID 43316300
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568
2-(1-aminocyclohexyl)-N-(3-sulfamoylphenyl)acetamide
CID 64683337
2-(2-chlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7815815
1-propyl-3-(3-sulfamoylphenyl)thiourea
CID 8620369
2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
CID 81167868
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea
CID 7991852
2-(2-acetamidophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7873845

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide (CID 28942449) is 3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide is NC(=S)CC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide?
The InChIKey is KAQIJVIMNJOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S2/c10-8(16)5-9(13)12-6-2-1-3-7(4-6)17(11,14)15/h1-4H,5H2,(H2,10,16)(H,12,13)(H2,11,14,15).
What are the key properties of 3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide?
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide has a molecular weight of 273.34 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 28942449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).