prop-2-enyl N-phenylmorpholine-4-carboximidothioate

C14H18N2OS — CID 86248595

IUPACprop-2-enyl N-phenylmorpholine-4-carboximidothioate
SMILESC=CCS/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H18N2OS/c1-2-12-18-14(16-8-10-17-11-9-16)15-13-6-4-3-5-7-13/h2-7H,1,8-12H2/b15-14-
InChIKeyCIWWFURAXKFKSS-PFONDFGASA-N
MW262.38 g/mol
LogP2.93
Rot. Bonds3

About prop-2-enyl N-phenylmorpholine-4-carboximidothioate

prop-2-enyl N-phenylmorpholine-4-carboximidothioate (PubChem CID 86248595) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is prop-2-enyl N-phenylmorpholine-4-carboximidothioate.

Molecular Properties

Compound Nameprop-2-enyl N-phenylmorpholine-4-carboximidothioate
PubChem CID86248595
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Nameprop-2-enyl N-phenylmorpholine-4-carboximidothioate
SMILESC=CCS/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H18N2OS/c1-2-12-18-14(16-8-10-17-11-9-16)15-13-6-4-3-5-7-13/h2-7H,1,8-12H2/b15-14-
InChIKeyCIWWFURAXKFKSS-PFONDFGASA-N
XLogP2.93
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-phenylmorpholine-4-carboximidothioate?
The IUPAC name of prop-2-enyl N-phenylmorpholine-4-carboximidothioate (CID 86248595) is prop-2-enyl N-phenylmorpholine-4-carboximidothioate.
What is the SMILES notation for prop-2-enyl N-phenylmorpholine-4-carboximidothioate?
The canonical SMILES for prop-2-enyl N-phenylmorpholine-4-carboximidothioate is C=CCS/C(=N\c1ccccc1)N1CCOCC1.
What is the InChIKey of prop-2-enyl N-phenylmorpholine-4-carboximidothioate?
The InChIKey is CIWWFURAXKFKSS-PFONDFGASA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-12-18-14(16-8-10-17-11-9-16)15-13-6-4-3-5-7-13/h2-7H,1,8-12H2/b15-14-.
What are the key properties of prop-2-enyl N-phenylmorpholine-4-carboximidothioate?
prop-2-enyl N-phenylmorpholine-4-carboximidothioate has a molecular weight of 262.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-phenylmorpholine-4-carboximidothioate is sourced from PubChem (CID 86248595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).