N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide

C9H17N3O2S — CID 43316467

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide
SMILESCCCN(CC)C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C9H17N3O2S/c1-3-5-12(4-2)9(14)8(13)11-6-7(10)15/h3-6H2,1-2H3,(H2,10,15)(H,11,13)
InChIKeyPZRYOROWQYPJRK-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.35
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide

N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide (PubChem CID 43316467) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide
PubChem CID43316467
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide
SMILESCCCN(CC)C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C9H17N3O2S/c1-3-5-12(4-2)9(14)8(13)11-6-7(10)15/h3-6H2,1-2H3,(H2,10,15)(H,11,13)
InChIKeyPZRYOROWQYPJRK-UHFFFAOYSA-N
XLogP-0.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.35
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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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide
CID 61437859
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955740
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide
CID 61449625
N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide
CID 43316466
N-(2-amino-2-sulfanylideneethyl)-N'-butyl-N'-phenyloxamide
CID 64591948
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide
CID 61437710
3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea
CID 79159558
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide
CID 55000877
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide
CID 112659642
N'-butyl-N-ethyl-N'-propyloxamide
CID 108521406
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357
N-(2-amino-2-sulfanylideneethyl)propanamide
CID 61126887

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide (CID 43316467) is N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide is CCCN(CC)C(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide?
The InChIKey is PZRYOROWQYPJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-5-12(4-2)9(14)8(13)11-6-7(10)15/h3-6H2,1-2H3,(H2,10,15)(H,11,13).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide has a molecular weight of 231.32 g/mol, XLogP of -0.35, 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'-ethyl-N'-propyloxamide is sourced from PubChem (CID 43316467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).