(4-phenoxyphenyl) thiomorpholine-4-carboxylate

C17H17NO3S — CID 15225159

IUPAC(4-phenoxyphenyl) thiomorpholine-4-carboxylate
SMILESO=C(Oc1ccc(Oc2ccccc2)cc1)N1CCSCC1
InChIInChI=1S/C17H17NO3S/c19-17(18-10-12-22-13-11-18)21-16-8-6-15(7-9-16)20-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeySHLBKEFXRZSGPT-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.03
Rot. Bonds3

About (4-phenoxyphenyl) thiomorpholine-4-carboxylate

(4-phenoxyphenyl) thiomorpholine-4-carboxylate (PubChem CID 15225159) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is (4-phenoxyphenyl) thiomorpholine-4-carboxylate.

Molecular Properties

Compound Name(4-phenoxyphenyl) thiomorpholine-4-carboxylate
PubChem CID15225159
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name(4-phenoxyphenyl) thiomorpholine-4-carboxylate
SMILESO=C(Oc1ccc(Oc2ccccc2)cc1)N1CCSCC1
InChIInChI=1S/C17H17NO3S/c19-17(18-10-12-22-13-11-18)21-16-8-6-15(7-9-16)20-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeySHLBKEFXRZSGPT-UHFFFAOYSA-N
XLogP4.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-phenoxyphenyl) thiomorpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
(4-nitrophenyl) thiomorpholine-4-carboxylate
CID 58116495
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
phenyl 4-sulfamoylpiperazine-1-carboxylate
CID 61132871
phenyl 4-tert-butylpiperazine-1-carboxylate
CID 61068784
naphthalen-1-yl thiomorpholine-4-carboxylate
CID 138533444
[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate
CID 67800674
phenyl 4-methyl-1,4-diazepane-1-carboxylate
CID 60637805
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568141

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) thiomorpholine-4-carboxylate?
The IUPAC name of (4-phenoxyphenyl) thiomorpholine-4-carboxylate (CID 15225159) is (4-phenoxyphenyl) thiomorpholine-4-carboxylate.
What is the SMILES notation for (4-phenoxyphenyl) thiomorpholine-4-carboxylate?
The canonical SMILES for (4-phenoxyphenyl) thiomorpholine-4-carboxylate is O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCSCC1.
What is the InChIKey of (4-phenoxyphenyl) thiomorpholine-4-carboxylate?
The InChIKey is SHLBKEFXRZSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c19-17(18-10-12-22-13-11-18)21-16-8-6-15(7-9-16)20-14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of (4-phenoxyphenyl) thiomorpholine-4-carboxylate?
(4-phenoxyphenyl) thiomorpholine-4-carboxylate has a molecular weight of 315.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) thiomorpholine-4-carboxylate is sourced from PubChem (CID 15225159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).