N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide

C7H11N3O3S — CID 165344232

IUPACN-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide
SMILESCCS(C)(=O)=NC(=O)C(=O)NCC#N
InChIInChI=1S/C7H11N3O3S/c1-3-14(2,13)10-7(12)6(11)9-5-4-8/h3,5H2,1-2H3,(H,9,11)
InChIKeySBBNRNUXQNREKW-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.73
Rot. Bonds2

About N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide

N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide (PubChem CID 165344232) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide
PubChem CID165344232
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC NameN-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide
SMILESCCS(C)(=O)=NC(=O)C(=O)NCC#N
InChIInChI=1S/C7H11N3O3S/c1-3-14(2,13)10-7(12)6(11)9-5-4-8/h3,5H2,1-2H3,(H,9,11)
InChIKeySBBNRNUXQNREKW-UHFFFAOYSA-N
XLogP-0.73
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyanomethyl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide
CID 130582079
N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide
CID 65043672
N-(cyanomethyl)-N'-(4-methylsulfonylphenyl)oxamide
CID 43315997
N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide
CID 130626263
N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62835754
N'-(cyanomethyl)-N-(3-methylbut-2-enyl)oxamide
CID 106188852
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428
N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide
CID 60918929
N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide
CID 43316288
N-(cyanomethyl)-N'-(1-methoxy-3-methylbutan-2-yl)oxamide
CID 65049361
3-(cyanomethyl)-1-ethyl-1-methylurea
CID 79160219
N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide
CID 62406161

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide (CID 165344232) is N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide is CCS(C)(=O)=NC(=O)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide?
The InChIKey is SBBNRNUXQNREKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-3-14(2,13)10-7(12)6(11)9-5-4-8/h3,5H2,1-2H3,(H,9,11).
What are the key properties of N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide?
N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide has a molecular weight of 217.25 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide is sourced from PubChem (CID 165344232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).