2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone

C10H15N3O3S — CID 57211832

IUPAC2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESCc1nccn1C(SO)C(=O)N1CCOCC1
InChIInChI=1S/C10H15N3O3S/c1-8-11-2-3-13(8)10(17-15)9(14)12-4-6-16-7-5-12/h2-3,10,15H,4-7H2,1H3
InChIKeyOQUDEVULXSCVSC-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.76
Rot. Bonds3

About 2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone

2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 57211832) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID57211832
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESCc1nccn1C(SO)C(=O)N1CCOCC1
InChIInChI=1S/C10H15N3O3S/c1-8-11-2-3-13(8)10(17-15)9(14)12-4-6-16-7-5-12/h2-3,10,15H,4-7H2,1H3
InChIKeyOQUDEVULXSCVSC-UHFFFAOYSA-N
XLogP0.76
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylimidazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63811149
2-hydroxysulfanyl-4-(2-methylimidazol-1-yl)-1-morpholin-4-ylbutan-1-one
CID 91508131
(3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one
CID 95851745
3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one
CID 110244178
(2S)-3-methyl-1-morpholin-4-yl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-one
CID 97334466
(2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 126441847
(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 97277363
1-morpholin-4-yl-2-pyrazol-1-ylpropan-1-one
CID 51076822
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
(2R)-1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-methylimidazol-1-yl)propan-1-one
CID 95871198
1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one
CID 112690185
2-isocyano-1-morpholin-4-ylbutan-1-one
CID 134865549

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone (CID 57211832) is 2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone is Cc1nccn1C(SO)C(=O)N1CCOCC1.
What is the InChIKey of 2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is OQUDEVULXSCVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-8-11-2-3-13(8)10(17-15)9(14)12-4-6-16-7-5-12/h2-3,10,15H,4-7H2,1H3.
What are the key properties of 2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone?
2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 257.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 57211832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).