3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide

C9H16N2O2S — CID 43613382

IUPAC3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
SMILESCCC1COCCN1C(=O)CC(N)=S
InChIInChI=1S/C9H16N2O2S/c1-2-7-6-13-4-3-11(7)9(12)5-8(10)14/h7H,2-6H2,1H3,(H2,10,14)
InChIKeyYRASCZDVDRFTJK-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.30
Rot. Bonds3

About 3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide

3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide (PubChem CID 43613382) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide.

Molecular Properties

Compound Name3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
PubChem CID43613382
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
SMILESCCC1COCCN1C(=O)CC(N)=S
InChIInChI=1S/C9H16N2O2S/c1-2-7-6-13-4-3-11(7)9(12)5-8(10)14/h7H,2-6H2,1H3,(H2,10,14)
InChIKeyYRASCZDVDRFTJK-UHFFFAOYSA-N
XLogP0.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
CID 63591050
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
2-(2-aminocyclohexyl)-1-(3-ethylmorpholin-4-yl)ethanone
CID 62782698
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
2-(1-aminocyclohexyl)-1-(3-ethylmorpholin-4-yl)ethanone
CID 64684792
2-(cyclopentylamino)-1-(3-ethylmorpholin-4-yl)ethanone
CID 54928560
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
5-bromo-1-(3-ethylmorpholin-4-yl)pentan-1-one
CID 107908453
(4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone
CID 115293761

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide?
The IUPAC name of 3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide (CID 43613382) is 3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide.
What is the SMILES notation for 3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide?
The canonical SMILES for 3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide is CCC1COCCN1C(=O)CC(N)=S.
What is the InChIKey of 3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide?
The InChIKey is YRASCZDVDRFTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-2-7-6-13-4-3-11(7)9(12)5-8(10)14/h7H,2-6H2,1H3,(H2,10,14).
What are the key properties of 3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide?
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide has a molecular weight of 216.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide is sourced from PubChem (CID 43613382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).