N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide

C12H23N3O2S — CID 61437859

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide
SMILESCCC(CC)CN(CC)C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C12H23N3O2S/c1-4-9(5-2)8-15(6-3)12(17)11(16)14-7-10(13)18/h9H,4-8H2,1-3H3,(H2,13,18)(H,14,16)
InChIKeyPCVFTEMJKVLFJT-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.67
Rot. Bonds7

About N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide (PubChem CID 61437859) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide
PubChem CID61437859
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide
SMILESCCC(CC)CN(CC)C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C12H23N3O2S/c1-4-9(5-2)8-15(6-3)12(17)11(16)14-7-10(13)18/h9H,4-8H2,1-3H3,(H2,13,18)(H,14,16)
InChIKeyPCVFTEMJKVLFJT-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.67
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide (CID 61437859) is N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide is CCC(CC)CN(CC)C(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide?
The InChIKey is PCVFTEMJKVLFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-9(5-2)8-15(6-3)12(17)11(16)14-7-10(13)18/h9H,4-8H2,1-3H3,(H2,13,18)(H,14,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide has a molecular weight of 273.40 g/mol, XLogP of 0.67, 7 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'-ethyl-N'-(2-ethylbutyl)oxamide is sourced from PubChem (CID 61437859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).