4-(4-phenylsulfanylphenyl)thiomorpholine

C16H17NS2 — CID 175943413

IUPAC4-(4-phenylsulfanylphenyl)thiomorpholine
SMILESc1ccc(Sc2ccc(N3CCSCC3)cc2)cc1
InChIInChI=1S/C16H17NS2/c1-2-4-15(5-3-1)19-16-8-6-14(7-9-16)17-10-12-18-13-11-17/h1-9H,10-13H2
InChIKeyOZBKEFDWUZSWIG-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.39
Rot. Bonds3

About 4-(4-phenylsulfanylphenyl)thiomorpholine

4-(4-phenylsulfanylphenyl)thiomorpholine (PubChem CID 175943413) has the molecular formula C16H17NS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-(4-phenylsulfanylphenyl)thiomorpholine.

Molecular Properties

Compound Name4-(4-phenylsulfanylphenyl)thiomorpholine
PubChem CID175943413
Molecular FormulaC16H17NS2
Molecular Weight287.45 g/mol
Exact Mass287.08
IUPAC Name4-(4-phenylsulfanylphenyl)thiomorpholine
SMILESc1ccc(Sc2ccc(N3CCSCC3)cc2)cc1
InChIInChI=1S/C16H17NS2/c1-2-4-15(5-3-1)19-16-8-6-14(7-9-16)17-10-12-18-13-11-17/h1-9H,10-13H2
InChIKeyOZBKEFDWUZSWIG-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
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(4-thiomorpholin-4-ylphenyl)methanol
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2-(4-thiomorpholin-4-ylphenyl)indene-1,3-dione
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CID 66690055
CID 66690055
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CID 146142612
1-(4-phenylphenyl)aziridine
CID 152682568
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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylsulfanylphenyl)thiomorpholine?
The IUPAC name of 4-(4-phenylsulfanylphenyl)thiomorpholine (CID 175943413) is 4-(4-phenylsulfanylphenyl)thiomorpholine.
What is the SMILES notation for 4-(4-phenylsulfanylphenyl)thiomorpholine?
The canonical SMILES for 4-(4-phenylsulfanylphenyl)thiomorpholine is c1ccc(Sc2ccc(N3CCSCC3)cc2)cc1.
What is the InChIKey of 4-(4-phenylsulfanylphenyl)thiomorpholine?
The InChIKey is OZBKEFDWUZSWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS2/c1-2-4-15(5-3-1)19-16-8-6-14(7-9-16)17-10-12-18-13-11-17/h1-9H,10-13H2.
What are the key properties of 4-(4-phenylsulfanylphenyl)thiomorpholine?
4-(4-phenylsulfanylphenyl)thiomorpholine has a molecular weight of 287.45 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylsulfanylphenyl)thiomorpholine is sourced from PubChem (CID 175943413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).