2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide

C12H22N2O4S — CID 114778946

IUPAC2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
SMILESCC1(C)CN(C(=O)CCSCC(N)=O)CC(CO)O1
InChIInChI=1S/C12H22N2O4S/c1-12(2)8-14(5-9(6-15)18-12)11(17)3-4-19-7-10(13)16/h9,15H,3-8H2,1-2H3,(H2,13,16)
InChIKeyNNKXMYFEEASLJF-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.41
Rot. Bonds6

About 2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide

2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide (PubChem CID 114778946) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
PubChem CID114778946
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
SMILESCC1(C)CN(C(=O)CCSCC(N)=O)CC(CO)O1
InChIInChI=1S/C12H22N2O4S/c1-12(2)8-14(5-9(6-15)18-12)11(17)3-4-19-7-10(13)16/h9,15H,3-8H2,1-2H3,(H2,13,16)
InChIKeyNNKXMYFEEASLJF-UHFFFAOYSA-N
XLogP-0.41
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 114779032
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114776775
3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
CID 114776669
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114778648
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114778639
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 114778269
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methylphenyl)sulfanylethanone
CID 114778930
[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 114779000
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 114778309

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide?
The IUPAC name of 2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide (CID 114778946) is 2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide.
What is the SMILES notation for 2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide?
The canonical SMILES for 2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide is CC1(C)CN(C(=O)CCSCC(N)=O)CC(CO)O1.
What is the InChIKey of 2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide?
The InChIKey is NNKXMYFEEASLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-12(2)8-14(5-9(6-15)18-12)11(17)3-4-19-7-10(13)16/h9,15H,3-8H2,1-2H3,(H2,13,16).
What are the key properties of 2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide?
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide has a molecular weight of 290.39 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide is sourced from PubChem (CID 114778946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).