2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one

C11H17N3O2S — CID 113408727

IUPAC2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one
SMILESCc1cn(C(C)C(=O)N2CCOCC2)c(=S)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-8-7-14(11(17)12-8)9(2)10(15)13-3-5-16-6-4-13/h7,9H,3-6H2,1-2H3,(H,12,17)
InChIKeySXWVDGQUTHWZMB-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.27
Rot. Bonds2

About 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one

2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 113408727) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID113408727
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one
SMILESCc1cn(C(C)C(=O)N2CCOCC2)c(=S)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-8-7-14(11(17)12-8)9(2)10(15)13-3-5-16-6-4-13/h7,9H,3-6H2,1-2H3,(H,12,17)
InChIKeySXWVDGQUTHWZMB-UHFFFAOYSA-N
XLogP1.27
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrole-2-carbothioamide
CID 114653770
2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 114707083
3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide
CID 93305866
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351
2-[(2R)-1-[13-[(2R)-2-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7073934
2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63874452
1-morpholin-4-yl-2-pyrazol-1-ylpropan-1-one
CID 51076822

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one (CID 113408727) is 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one is Cc1cn(C(C)C(=O)N2CCOCC2)c(=S)[nH]1.
What is the InChIKey of 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is SXWVDGQUTHWZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-7-14(11(17)12-8)9(2)10(15)13-3-5-16-6-4-13/h7,9H,3-6H2,1-2H3,(H,12,17).
What are the key properties of 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one?
2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 255.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 113408727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).