2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one

C7H12N2O3S — CID 71384808

IUPAC2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one
SMILESCOCCN1CCSC(=NO)C1=O
InChIInChI=1S/C7H12N2O3S/c1-12-4-2-9-3-5-13-6(8-11)7(9)10/h11H,2-5H2,1H3
InChIKeyKHKXKWOXYVNRDT-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.00
Rot. Bonds3

About 2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one

2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one (PubChem CID 71384808) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one.

Molecular Properties

Compound Name2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one
PubChem CID71384808
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one
SMILESCOCCN1CCSC(=NO)C1=O
InChIInChI=1S/C7H12N2O3S/c1-12-4-2-9-3-5-13-6(8-11)7(9)10/h11H,2-5H2,1H3
InChIKeyKHKXKWOXYVNRDT-UHFFFAOYSA-N
XLogP-0.00
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione
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1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione
CID 83290625
methyl 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
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1-(2-methoxyethyl)-3-(2-methoxypentan-3-yl)imidazolidin-2-one
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3-(2-methoxyethyl)-4,5-dimethyl-2H-1,3-thiazole
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(5R)-3-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056552
1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
CID 64882784
4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925714
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
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1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
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1-(4-fluoro-1-methoxy-3-methylbutan-2-yl)-3-(2-methoxyethyl)imidazolidin-2-one
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CID 110284451

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one?
The IUPAC name of 2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one (CID 71384808) is 2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one.
What is the SMILES notation for 2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one?
The canonical SMILES for 2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one is COCCN1CCSC(=NO)C1=O.
What is the InChIKey of 2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one?
The InChIKey is KHKXKWOXYVNRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-12-4-2-9-3-5-13-6(8-11)7(9)10/h11H,2-5H2,1H3.
What are the key properties of 2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one?
2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one has a molecular weight of 204.25 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-4-(2-methoxyethyl)thiomorpholin-3-one is sourced from PubChem (CID 71384808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).