4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one

C11H15N3O2S — CID 173363350

IUPAC4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one
SMILESO=C(CCCn1ccnc1)N1CCOCC1=S
InChIInChI=1S/C11H15N3O2S/c15-10(14-6-7-16-8-11(14)17)2-1-4-13-5-3-12-9-13/h3,5,9H,1-2,4,6-8H2
InChIKeyYEVUKRZYDUQVOV-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.85
Rot. Bonds4

About 4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one

4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one (PubChem CID 173363350) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one
PubChem CID173363350
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one
SMILESO=C(CCCn1ccnc1)N1CCOCC1=S
InChIInChI=1S/C11H15N3O2S/c15-10(14-6-7-16-8-11(14)17)2-1-4-13-5-3-12-9-13/h3,5,9H,1-2,4,6-8H2
InChIKeyYEVUKRZYDUQVOV-UHFFFAOYSA-N
XLogP0.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 54259833
1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 97026411
1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one
CID 166260860
4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
CID 124998191
4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one
CID 124942838
5-imidazol-1-yl-2-oxopentanoic acid
CID 174329319
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124944928
4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
CID 124954713
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
CID 110159573
4-imidazol-1-yl-1-[(6R)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]butan-1-one
CID 125005388
4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 47080367
4-imidazol-1-ylbutanethioamide
CID 19417737

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one (CID 173363350) is 4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one is O=C(CCCn1ccnc1)N1CCOCC1=S.
What is the InChIKey of 4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one?
The InChIKey is YEVUKRZYDUQVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-10(14-6-7-16-8-11(14)17)2-1-4-13-5-3-12-9-13/h3,5,9H,1-2,4,6-8H2.
What are the key properties of 4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one?
4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one has a molecular weight of 253.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one is sourced from PubChem (CID 173363350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).