N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide

C10H12N4O4S2 — CID 43316300

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H12N4O4S2/c11-8(19)5-13-9(15)10(16)14-6-2-1-3-7(4-6)20(12,17)18/h1-4H,5H2,(H2,11,19)(H,13,15)(H,14,16)(H2,12,17,18)
InChIKeyHNOAWHLWYQAZDB-UHFFFAOYSA-N
MW316.36 g/mol
LogP-1.33
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide (PubChem CID 43316300) has the molecular formula C10H12N4O4S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide
PubChem CID43316300
Molecular FormulaC10H12N4O4S2
Molecular Weight316.36 g/mol
Exact Mass316.03
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H12N4O4S2/c11-8(19)5-13-9(15)10(16)14-6-2-1-3-7(4-6)20(12,17)18/h1-4H,5H2,(H2,11,19)(H,13,15)(H,14,16)(H2,12,17,18)
InChIKeyHNOAWHLWYQAZDB-UHFFFAOYSA-N
XLogP-1.33
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide
CID 43316270
N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
1-propyl-3-(3-sulfamoylphenyl)thiourea
CID 8620369
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea
CID 7991852
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
(3S)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366210
(3R)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366211

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide (CID 43316300) is N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide is NC(=S)CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide?
The InChIKey is HNOAWHLWYQAZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S2/c11-8(19)5-13-9(15)10(16)14-6-2-1-3-7(4-6)20(12,17)18/h1-4H,5H2,(H2,11,19)(H,13,15)(H,14,16)(H2,12,17,18).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide has a molecular weight of 316.36 g/mol, XLogP of -1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide is sourced from PubChem (CID 43316300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).