N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide

C11H19N3O3S — CID 61424161

IUPACN-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide
SMILESCCC1COC(C)CN1C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C11H19N3O3S/c1-3-8-6-17-7(2)5-14(8)11(16)10(15)13-4-9(12)18/h7-8H,3-6H2,1-2H3,(H2,12,18)(H,13,15)
InChIKeyMTTANZRAKLVEAX-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.59
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide

N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide (PubChem CID 61424161) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide
PubChem CID61424161
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide
SMILESCCC1COC(C)CN1C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C11H19N3O3S/c1-3-8-6-17-7(2)5-14(8)11(16)10(15)13-4-9(12)18/h7-8H,3-6H2,1-2H3,(H2,12,18)(H,13,15)
InChIKeyMTTANZRAKLVEAX-UHFFFAOYSA-N
XLogP-0.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylbutanethioamide
CID 113270534
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide
CID 115570950
3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821469
2-hydroxyethyl 5-ethyl-2-methylmorpholine-4-carboxylate
CID 79345232
2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-one
CID 43650344
1-(5-ethyl-2-methylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
CID 103029074
4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one
CID 43579218
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300
4-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
CID 63589981
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61424705
5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
CID 62361901

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide (CID 61424161) is N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide is CCC1COC(C)CN1C(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide?
The InChIKey is MTTANZRAKLVEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-8-6-17-7(2)5-14(8)11(16)10(15)13-4-9(12)18/h7-8H,3-6H2,1-2H3,(H2,12,18)(H,13,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide?
N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide has a molecular weight of 273.36 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 61424161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).