N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide

C9H17N3O2S — CID 61167659

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide
SMILESCC(C)(C)CNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C9H17N3O2S/c1-9(2,3)5-12-8(14)7(13)11-4-6(10)15/h4-5H2,1-3H3,(H2,10,15)(H,11,13)(H,12,14)
InChIKeyOMGXGFZWUHJLFD-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.45
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide (PubChem CID 61167659) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide
PubChem CID61167659
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide
SMILESCC(C)(C)CNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C9H17N3O2S/c1-9(2,3)5-12-8(14)7(13)11-4-6(10)15/h4-5H2,1-3H3,(H2,10,15)(H,11,13)(H,12,14)
InChIKeyOMGXGFZWUHJLFD-UHFFFAOYSA-N
XLogP-0.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-(2,2,2-trifluoroethyl)oxamide
CID 43316392
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]amino]acetate
CID 43316324
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide
CID 114175469
N-(2-amino-2-sulfanylideneethyl)propanamide
CID 61126887
CID 59109308
CID 59109308
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271
N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide
CID 155070864
N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 43316123
N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
CID 43316161
N'-(2-amino-2-sulfanylideneethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]oxamide
CID 114139140
N-(2-amino-2-sulfanylideneethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)oxamide
CID 114388000

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide (CID 61167659) is N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide is CC(C)(C)CNC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide?
The InChIKey is OMGXGFZWUHJLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-9(2,3)5-12-8(14)7(13)11-4-6(10)15/h4-5H2,1-3H3,(H2,10,15)(H,11,13)(H,12,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide has a molecular weight of 231.32 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide is sourced from PubChem (CID 61167659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).