6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one

C9H15NO4S — CID 117159031

IUPAC6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one
SMILESO=C1COC(CC2CCS(=O)(=O)C2)CN1
InChIInChI=1S/C9H15NO4S/c11-9-5-14-8(4-10-9)3-7-1-2-15(12,13)6-7/h7-8H,1-6H2,(H,10,11)
InChIKeySAAFEOAUWGUMBF-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.67
Rot. Bonds2

About 6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one

6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one (PubChem CID 117159031) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one
PubChem CID117159031
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one
SMILESO=C1COC(CC2CCS(=O)(=O)C2)CN1
InChIInChI=1S/C9H15NO4S/c11-9-5-14-8(4-10-9)3-7-1-2-15(12,13)6-7/h7-8H,1-6H2,(H,10,11)
InChIKeySAAFEOAUWGUMBF-UHFFFAOYSA-N
XLogP-0.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(thiolan-2-ylmethyl)morpholin-3-one
CID 117159101
6-(aminomethyl)morpholin-3-one;hydrochloride
CID 22612261
2-(5-oxomorpholin-2-yl)acetic acid
CID 83815625
3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide
CID 117227706
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724
4-[2-(1,1-dioxothiolan-3-yl)acetyl]piperazin-2-one
CID 55023787
6-(furan-2-ylmethyl)morpholin-3-one
CID 117159245
4-(1,1-dioxothiolan-3-yl)-2-methylbutan-2-ol
CID 84739893
(3S)-3-(nitromethyl)thiolane 1,1-dioxide
CID 7298984
3-[(1,1-dioxothiolan-3-yl)methylamino]pyrrolidine-2,5-dione
CID 61058278
9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969132
N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692339

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one?
The IUPAC name of 6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one (CID 117159031) is 6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one.
What is the SMILES notation for 6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one?
The canonical SMILES for 6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one is O=C1COC(CC2CCS(=O)(=O)C2)CN1.
What is the InChIKey of 6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one?
The InChIKey is SAAFEOAUWGUMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c11-9-5-14-8(4-10-9)3-7-1-2-15(12,13)6-7/h7-8H,1-6H2,(H,10,11).
What are the key properties of 6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one?
6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one has a molecular weight of 233.29 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one is sourced from PubChem (CID 117159031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).