N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide

C11H13N3O2S — CID 43316161

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
SMILESNC(=S)CNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C11H13N3O2S/c12-9(17)7-14-11(16)10(15)13-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyWWAOSFHPTSDQBA-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.29
Rot. Bonds4

About N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide

N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide (PubChem CID 43316161) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
PubChem CID43316161
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
SMILESNC(=S)CNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C11H13N3O2S/c12-9(17)7-14-11(16)10(15)13-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyWWAOSFHPTSDQBA-UHFFFAOYSA-N
XLogP-0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.29
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-[(4-chlorophenyl)methyl]oxamide
CID 43316414
N'-benzyloxamide
CID 561416
N-benzyl-2-(carbamothioylamino)acetamide
CID 86103801
2-(benzylcarbamothioylamino)acetamide
CID 123762736
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
benzene;benzylurea;hydrazine
CID 68793593
N-benzyl-2-oxopentanediamide
CID 162387847
sodium;benzylthiourea;hydride
CID 173079334
2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide
CID 82179146
N-benzyl-N'-(4-carbamoylphenyl)oxamide
CID 7584954
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
N-benzyl-2-hydrazinylacetamide
CID 15514349

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide (CID 43316161) is N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide is NC(=S)CNC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide?
The InChIKey is WWAOSFHPTSDQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-9(17)7-14-11(16)10(15)13-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,17)(H,13,15)(H,14,16).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide has a molecular weight of 251.31 g/mol, XLogP of -0.29, 4 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-benzyloxamide is sourced from PubChem (CID 43316161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).