N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide

C11H21N3O2S — CID 55000877

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide
SMILESCC(C)CN(C(=O)C(=O)NCC(N)=S)C(C)C
InChIInChI=1S/C11H21N3O2S/c1-7(2)6-14(8(3)4)11(16)10(15)13-5-9(12)17/h7-8H,5-6H2,1-4H3,(H2,12,17)(H,13,15)
InChIKeyNUUHQWMJCNIMFG-UHFFFAOYSA-N
MW259.38 g/mol
LogP0.28
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide (PubChem CID 55000877) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide
PubChem CID55000877
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide
SMILESCC(C)CN(C(=O)C(=O)NCC(N)=S)C(C)C
InChIInChI=1S/C11H21N3O2S/c1-7(2)6-14(8(3)4)11(16)10(15)13-5-9(12)17/h7-8H,5-6H2,1-4H3,(H2,12,17)(H,13,15)
InChIKeyNUUHQWMJCNIMFG-UHFFFAOYSA-N
XLogP0.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide 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-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide
CID 61437859
N'-(2-amino-2-sulfanylideneethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]oxamide
CID 114139140
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide
CID 43316467
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955740
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide
CID 112659642
1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 80589572
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]amino]acetate
CID 43316324
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide
CID 61437710
N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide
CID 61167659
N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride
CID 79886811
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide (CID 55000877) is N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide is CC(C)CN(C(=O)C(=O)NCC(N)=S)C(C)C.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide?
The InChIKey is NUUHQWMJCNIMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-7(2)6-14(8(3)4)11(16)10(15)13-5-9(12)17/h7-8H,5-6H2,1-4H3,(H2,12,17)(H,13,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide has a molecular weight of 259.38 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 55000877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).