2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide

C10H18N2O3S — CID 47030863

IUPAC2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide
SMILESCC1CN(C(=O)CSCC(N)=O)CC(C)O1
InChIInChI=1S/C10H18N2O3S/c1-7-3-12(4-8(2)15-7)10(14)6-16-5-9(11)13/h7-8H,3-6H2,1-2H3,(H2,11,13)
InChIKeyJNLZYOYKHRSQMX-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.16
Rot. Bonds4

About 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide

2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide (PubChem CID 47030863) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide
PubChem CID47030863
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide
SMILESCC1CN(C(=O)CSCC(N)=O)CC(C)O1
InChIInChI=1S/C10H18N2O3S/c1-7-3-12(4-8(2)15-7)10(14)6-16-5-9(11)13/h7-8H,3-6H2,1-2H3,(H2,11,13)
InChIKeyJNLZYOYKHRSQMX-UHFFFAOYSA-N
XLogP-0.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30009960
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43120415
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone
CID 153278886
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
2-benzylsulfanyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 889317
2-benzylsulfanyl-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 889316
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
CID 51076738
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxopropanimidamide
CID 43155988
3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 64684519
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 51147705

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide (CID 47030863) is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide is CC1CN(C(=O)CSCC(N)=O)CC(C)O1.
What is the InChIKey of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide?
The InChIKey is JNLZYOYKHRSQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-7-3-12(4-8(2)15-7)10(14)6-16-5-9(11)13/h7-8H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide?
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide has a molecular weight of 246.33 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 47030863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).