2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate

C13H15N2O3S- — CID 9484360

IUPAC2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate
SMILESO=C([O-])CS/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H16N2O3S/c16-12(17)10-19-13(15-6-8-18-9-7-15)14-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17)/p-1/b14-13-
InChIKeyXIJDZRUNDIGPNY-YPKPFQOOSA-M
MW279.34 g/mol
LogP0.49
Rot. Bonds3

About 2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate

2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate (PubChem CID 9484360) has the molecular formula C13H15N2O3S- and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate.

Molecular Properties

Compound Name2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate
PubChem CID9484360
Molecular FormulaC13H15N2O3S-
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate
SMILESO=C([O-])CS/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H16N2O3S/c16-12(17)10-19-13(15-6-8-18-9-7-15)14-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17)/p-1/b14-13-
InChIKeyXIJDZRUNDIGPNY-YPKPFQOOSA-M
XLogP0.49
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] N-phenylmorpholine-4-carboximidothioate
CID 9456659
[2-(2,5-dimethylanilino)-2-oxoethyl] N-phenylmorpholine-4-carboximidothioate
CID 9423355
2-oxopropyl N-phenylazepane-1-carboximidothioate
CID 9458490
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] N-phenylmorpholine-4-carboximidothioate
CID 9457796
ethyl N-(C,N-diphenylcarbonimidoyl)morpholine-4-carboximidothioate
CID 15723315
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
CID 146162313
CID 146162313
[2-(4-chlorophenyl)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate
CID 9457367
ethyl 4-[[morpholin-4-yl-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]methylidene]amino]benzoate
CID 2818612
[2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
CID 9458136
[2-(4-fluoroanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
CID 9423322
[2-(naphthalen-1-ylamino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate
CID 9458349

Frequently Asked Questions

What is the IUPAC name of 2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate?
The IUPAC name of 2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate (CID 9484360) is 2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate.
What is the SMILES notation for 2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate?
The canonical SMILES for 2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate is O=C([O-])CS/C(=N\c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate?
The InChIKey is XIJDZRUNDIGPNY-YPKPFQOOSA-M. The full InChI is InChI=1S/C13H16N2O3S/c16-12(17)10-19-13(15-6-8-18-9-7-15)14-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17)/p-1/b14-13-.
What are the key properties of 2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate?
2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate has a molecular weight of 279.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate is sourced from PubChem (CID 9484360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).