N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide

C7H14N4O4S2 — CID 114175469

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide
SMILESCNS(=O)(=O)CCNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C7H14N4O4S2/c1-9-17(14,15)3-2-10-6(12)7(13)11-4-5(8)16/h9H,2-4H2,1H3,(H2,8,16)(H,10,12)(H,11,13)
InChIKeyGHPIDLIMAGSJQW-UHFFFAOYSA-N
MW282.35 g/mol
LogP-2.95
Rot. Bonds6

About N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide

N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide (PubChem CID 114175469) has the molecular formula C7H14N4O4S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide
PubChem CID114175469
Molecular FormulaC7H14N4O4S2
Molecular Weight282.35 g/mol
Exact Mass282.05
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide
SMILESCNS(=O)(=O)CCNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C7H14N4O4S2/c1-9-17(14,15)3-2-10-6(12)7(13)11-4-5(8)16/h9H,2-4H2,1H3,(H2,8,16)(H,10,12)(H,11,13)
InChIKeyGHPIDLIMAGSJQW-UHFFFAOYSA-N
XLogP-2.95
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-2.95
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

N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]amino]acetate
CID 43316324
N'-(2-amino-2-sulfanylideneethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]oxamide
CID 114139140
N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide
CID 61167659
N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide
CID 43316392
2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 106336717
2,2-dimethyl-3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106334718
ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate
CID 102676292
2-methyl-2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 106336691
N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide
CID 106336906
3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106336943
N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide
CID 106009959

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide (CID 114175469) is N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide is CNS(=O)(=O)CCNC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide?
The InChIKey is GHPIDLIMAGSJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O4S2/c1-9-17(14,15)3-2-10-6(12)7(13)11-4-5(8)16/h9H,2-4H2,1H3,(H2,8,16)(H,10,12)(H,11,13).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide has a molecular weight of 282.35 g/mol, XLogP of -2.95, 6 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-[2-(methylsulfamoyl)ethyl]oxamide is sourced from PubChem (CID 114175469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).