1-morpholin-4-yl-4-sulfanylbutan-1-one

C8H15NO2S — CID 12749874

IUPAC1-morpholin-4-yl-4-sulfanylbutan-1-one
SMILESO=C(CCCS)N1CCOCC1
InChIInChI=1S/C8H15NO2S/c10-8(2-1-7-12)9-3-5-11-6-4-9/h12H,1-7H2
InChIKeyNLHHXUFPCQZGOK-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.56
Rot. Bonds3

About 1-morpholin-4-yl-4-sulfanylbutan-1-one

1-morpholin-4-yl-4-sulfanylbutan-1-one (PubChem CID 12749874) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-morpholin-4-yl-4-sulfanylbutan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-4-sulfanylbutan-1-one
PubChem CID12749874
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-morpholin-4-yl-4-sulfanylbutan-1-one
SMILESO=C(CCCS)N1CCOCC1
InChIInChI=1S/C8H15NO2S/c10-8(2-1-7-12)9-3-5-11-6-4-9/h12H,1-7H2
InChIKeyNLHHXUFPCQZGOK-UHFFFAOYSA-N
XLogP0.56
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-morpholin-4-yl-4-sulfanylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Butyrylmorpholine
CID 220497
Morpholine, 4-(mercaptoacetyl)-
CID 916332
2-Methyl-1-morpholin-4-yl-3-sulfanylpropan-1-one
CID 72947310
1-(2-Ethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819811
1-(2,6-Dimethylmorpholin-4-yl)-2-sulfanylethanone
CID 22116904
1-(2-Methoxyethyl)-3-sulfanylpiperidin-2-one
CID 23652254
1-(2-Ethoxyethyl)-3-sulfanylpiperidin-2-one
CID 23652255
1-Morpholin-4-yl-3-sulfanylpropan-1-one
CID 53764276
1-Morpholin-4-yl-5-sulfanylpentan-1-one
CID 54236383
4-Tert-butylsulfanyl-1-morpholin-4-ylbutan-1-one
CID 59176720
3-Methylsulfanyl-1-morpholin-4-ylpropan-1-one
CID 60635837
1-(2,2-Dimethylmorpholin-4-yl)-2-sulfanylethanone
CID 65626997

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-4-sulfanylbutan-1-one?
The IUPAC name of 1-morpholin-4-yl-4-sulfanylbutan-1-one (CID 12749874) is 1-morpholin-4-yl-4-sulfanylbutan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-4-sulfanylbutan-1-one?
The canonical SMILES for 1-morpholin-4-yl-4-sulfanylbutan-1-one is O=C(CCCS)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-4-sulfanylbutan-1-one?
The InChIKey is NLHHXUFPCQZGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c10-8(2-1-7-12)9-3-5-11-6-4-9/h12H,1-7H2.
What are the key properties of 1-morpholin-4-yl-4-sulfanylbutan-1-one?
1-morpholin-4-yl-4-sulfanylbutan-1-one has a molecular weight of 189.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-4-sulfanylbutan-1-one is sourced from PubChem (CID 12749874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).