2-(2,3-dimethylmorpholin-4-yl)ethanethioamide

C8H16N2OS — CID 130816236

IUPAC2-(2,3-dimethylmorpholin-4-yl)ethanethioamide
SMILESCC1OCCN(CC(N)=S)C1C
InChIInChI=1S/C8H16N2OS/c1-6-7(2)11-4-3-10(6)5-8(9)12/h6-7H,3-5H2,1-2H3,(H2,9,12)
InChIKeyZLCWGIXLPLZRHV-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.38
Rot. Bonds2

About 2-(2,3-dimethylmorpholin-4-yl)ethanethioamide

2-(2,3-dimethylmorpholin-4-yl)ethanethioamide (PubChem CID 130816236) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-(2,3-dimethylmorpholin-4-yl)ethanethioamide.

Molecular Properties

Compound Name2-(2,3-dimethylmorpholin-4-yl)ethanethioamide
PubChem CID130816236
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-(2,3-dimethylmorpholin-4-yl)ethanethioamide
SMILESCC1OCCN(CC(N)=S)C1C
InChIInChI=1S/C8H16N2OS/c1-6-7(2)11-4-3-10(6)5-8(9)12/h6-7H,3-5H2,1-2H3,(H2,9,12)
InChIKeyZLCWGIXLPLZRHV-UHFFFAOYSA-N
XLogP0.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.38
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

2,3-dimethyl-4-(2-methylidenebutyl)morpholine
CID 131132113
3-(2,3-dimethylmorpholin-4-yl)propan-1-ol
CID 131152382
(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide
CID 126987751
2-(2,3-dimethylmorpholin-4-yl)propanethioamide
CID 131187038
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide
CID 128986958
5-[(2,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120900568
(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide
CID 128986897
(2R,3S)-2-methyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholine-3-carboxamide
CID 128987044
3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol
CID 131209513
ethane;(2R)-2,3,4-trimethylmorpholine
CID 143986046
(2R,3S)-4-[(4-bromo-2-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983411

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylmorpholin-4-yl)ethanethioamide?
The IUPAC name of 2-(2,3-dimethylmorpholin-4-yl)ethanethioamide (CID 130816236) is 2-(2,3-dimethylmorpholin-4-yl)ethanethioamide.
What is the SMILES notation for 2-(2,3-dimethylmorpholin-4-yl)ethanethioamide?
The canonical SMILES for 2-(2,3-dimethylmorpholin-4-yl)ethanethioamide is CC1OCCN(CC(N)=S)C1C.
What is the InChIKey of 2-(2,3-dimethylmorpholin-4-yl)ethanethioamide?
The InChIKey is ZLCWGIXLPLZRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6-7(2)11-4-3-10(6)5-8(9)12/h6-7H,3-5H2,1-2H3,(H2,9,12).
What are the key properties of 2-(2,3-dimethylmorpholin-4-yl)ethanethioamide?
2-(2,3-dimethylmorpholin-4-yl)ethanethioamide has a molecular weight of 188.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylmorpholin-4-yl)ethanethioamide is sourced from PubChem (CID 130816236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).