6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one

C11H19NO4S — CID 117159114

IUPAC6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one
SMILESCC1(CC2CCCCS2(=O)=O)CNC(=O)CO1
InChIInChI=1S/C11H19NO4S/c1-11(8-12-10(13)7-16-11)6-9-4-2-3-5-17(9,14)15/h9H,2-8H2,1H3,(H,12,13)
InChIKeyZQTQZBIWBPCYNY-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.25
Rot. Bonds2

About 6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one

6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one (PubChem CID 117159114) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one.

Molecular Properties

Compound Name6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one
PubChem CID117159114
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one
SMILESCC1(CC2CCCCS2(=O)=O)CNC(=O)CO1
InChIInChI=1S/C11H19NO4S/c1-11(8-12-10(13)7-16-11)6-9-4-2-3-5-17(9,14)15/h9H,2-8H2,1H3,(H,12,13)
InChIKeyZQTQZBIWBPCYNY-UHFFFAOYSA-N
XLogP0.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one
CID 117159123
(6S)-6-ethyl-6-methylmorpholin-3-one
CID 162867186
2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117228045
6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one
CID 117159042
2-[2-[(1,1-dioxothian-2-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanamine
CID 117169128
6-(1,1-dioxothian-4-yl)-6-methylmorpholin-3-one
CID 117159020
6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one
CID 117159172
6-methyl-6-(1-methylpiperidin-3-yl)morpholin-3-one
CID 117159064
[(2R)-1,1-dioxothian-2-yl]methanol
CID 94865465
2-(1,1-dioxothian-2-yl)acetohydrazide
CID 84674346
1-[3-[(1,1-dioxothian-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081152
(1,1-dioxothiolan-2-yl)methanamine
CID 55289628

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one?
The IUPAC name of 6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one (CID 117159114) is 6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one.
What is the SMILES notation for 6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one?
The canonical SMILES for 6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one is CC1(CC2CCCCS2(=O)=O)CNC(=O)CO1.
What is the InChIKey of 6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one?
The InChIKey is ZQTQZBIWBPCYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-11(8-12-10(13)7-16-11)6-9-4-2-3-5-17(9,14)15/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one?
6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one has a molecular weight of 261.34 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one is sourced from PubChem (CID 117159114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).