1-morpholin-4-yl-2-sulfinylethanone

C6H9NO3S — CID 14744574

IUPAC1-morpholin-4-yl-2-sulfinylethanone
SMILESO=S=CC(=O)N1CCOCC1
InChIInChI=1S/C6H9NO3S/c8-6(5-11-9)7-1-3-10-4-2-7/h5H,1-4H2
InChIKeyUTOGQMRRCVRWQQ-UHFFFAOYSA-N
MW175.21 g/mol
LogP-1.14
Rot. Bonds1

About 1-morpholin-4-yl-2-sulfinylethanone

1-morpholin-4-yl-2-sulfinylethanone (PubChem CID 14744574) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-sulfinylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-sulfinylethanone
PubChem CID14744574
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name1-morpholin-4-yl-2-sulfinylethanone
SMILESO=S=CC(=O)N1CCOCC1
InChIInChI=1S/C6H9NO3S/c8-6(5-11-9)7-1-3-10-4-2-7/h5H,1-4H2
InChIKeyUTOGQMRRCVRWQQ-UHFFFAOYSA-N
XLogP-1.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Morpholine, 4-(mercaptoacetyl)-
CID 916332
2-(4-Morpholinyl)-2-oxoethyl thiocyanate
CID 23883586
2-Methylsulfanyl-1-morpholin-4-ylethanone
CID 20552968
Methyl 4-morpholinyl(oxo)ethanedithioate
CID 22397235
2-Morpholin-4-yl-2-oxoethanesulfonic acid
CID 23003127
1-Morpholin-4-yl-3-sulfanylpropan-1-one
CID 53764276
2-Morpholin-4-yl-2-oxoethanethial
CID 86095947
(2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde
CID 91088170
1-[3-(Disulfanyl)morpholin-4-yl]ethanone
CID 123783906
2-(3,5-Dimethylmorpholin-4-yl)-2-oxoethanethial
CID 134556458
2-(Disulfanyl)-1-morpholin-4-ylethanone
CID 144729362
(2-Morpholin-4-yl-2-oxoethyl)sulfanium
CID 148459581

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-sulfinylethanone?
The IUPAC name of 1-morpholin-4-yl-2-sulfinylethanone (CID 14744574) is 1-morpholin-4-yl-2-sulfinylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-sulfinylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-sulfinylethanone is O=S=CC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-sulfinylethanone?
The InChIKey is UTOGQMRRCVRWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c8-6(5-11-9)7-1-3-10-4-2-7/h5H,1-4H2.
What are the key properties of 1-morpholin-4-yl-2-sulfinylethanone?
1-morpholin-4-yl-2-sulfinylethanone has a molecular weight of 175.21 g/mol, XLogP of -1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-sulfinylethanone is sourced from PubChem (CID 14744574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).