methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate

C13H18N2O2S — CID 2804526

IUPACmethyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate
SMILESCOc1ccc(/N=C(\SC)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O2S/c1-16-12-5-3-11(4-6-12)14-13(18-2)15-7-9-17-10-8-15/h3-6H,7-10H2,1-2H3/b14-13-
InChIKeyADWYXMRFPLOTPV-YPKPFQOOSA-N
MW266.37 g/mol
LogP2.38
Rot. Bonds2

About methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate

methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate (PubChem CID 2804526) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate.

Molecular Properties

Compound Namemethyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate
PubChem CID2804526
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Namemethyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate
SMILESCOc1ccc(/N=C(\SC)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O2S/c1-16-12-5-3-11(4-6-12)14-13(18-2)15-7-9-17-10-8-15/h3-6H,7-10H2,1-2H3/b14-13-
InChIKeyADWYXMRFPLOTPV-YPKPFQOOSA-N
XLogP2.38
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate?
The IUPAC name of methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate (CID 2804526) is methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate.
What is the SMILES notation for methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate?
The canonical SMILES for methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate is COc1ccc(/N=C(\SC)N2CCOCC2)cc1.
What is the InChIKey of methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate?
The InChIKey is ADWYXMRFPLOTPV-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-16-12-5-3-11(4-6-12)14-13(18-2)15-7-9-17-10-8-15/h3-6H,7-10H2,1-2H3/b14-13-.
What are the key properties of methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate?
methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate has a molecular weight of 266.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate is sourced from PubChem (CID 2804526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).