3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one

C10H17N3O2S — CID 134064563

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCSC1=NCCN1)N1CCOCC1
InChIInChI=1S/C10H17N3O2S/c14-9(13-4-6-15-7-5-13)1-8-16-10-11-2-3-12-10/h1-8H2,(H,11,12)
InChIKeyFAESUSHLPXDQBK-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.07
Rot. Bonds3

About 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 134064563) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one
PubChem CID134064563
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCSC1=NCCN1)N1CCOCC1
InChIInChI=1S/C10H17N3O2S/c14-9(13-4-6-15-7-5-13)1-8-16-10-11-2-3-12-10/h1-8H2,(H,11,12)
InChIKeyFAESUSHLPXDQBK-UHFFFAOYSA-N
XLogP-0.07
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-piperazin-1-ylpropan-1-one
CID 81465641
1-morpholin-4-yl-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 3955284
4-[[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanyl]-1-morpholin-4-ylbutan-1-one
CID 164529445
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
(3-morpholin-4-yl-3-oxopropyl) pyrrolidine-1-carbodithioate
CID 7342265
4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one
CID 43300198
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401910
1-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 62311600
(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 176949022
2-(4,5-dihydro-1H-imidazol-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114400401
3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 42556966

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one (CID 134064563) is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one is O=C(CCSC1=NCCN1)N1CCOCC1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is FAESUSHLPXDQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c14-9(13-4-6-15-7-5-13)1-8-16-10-11-2-3-12-10/h1-8H2,(H,11,12).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one?
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 243.33 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 134064563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).