4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine

C20H25NOS — CID 10245904

IUPAC4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine
SMILESc1ccc(SCc2ccccc2CCCN2CCOCC2)cc1
InChIInChI=1S/C20H25NOS/c1-2-10-20(11-3-1)23-17-19-8-5-4-7-18(19)9-6-12-21-13-15-22-16-14-21/h1-5,7-8,10-11H,6,9,12-17H2
InChIKeyUAPKVPKTACWMED-UHFFFAOYSA-N
MW327.49 g/mol
LogP4.24
Rot. Bonds7

About 4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine

4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine (PubChem CID 10245904) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is 4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine
PubChem CID10245904
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine
SMILESc1ccc(SCc2ccccc2CCCN2CCOCC2)cc1
InChIInChI=1S/C20H25NOS/c1-2-10-20(11-3-1)23-17-19-8-5-4-7-18(19)9-6-12-21-13-15-22-16-14-21/h1-5,7-8,10-11H,6,9,12-17H2
InChIKeyUAPKVPKTACWMED-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine (CID 10245904) is 4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine is c1ccc(SCc2ccccc2CCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine?
The InChIKey is UAPKVPKTACWMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-2-10-20(11-3-1)23-17-19-8-5-4-7-18(19)9-6-12-21-13-15-22-16-14-21/h1-5,7-8,10-11H,6,9,12-17H2.
What are the key properties of 4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine?
4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine has a molecular weight of 327.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(phenylsulfanylmethyl)phenyl]propyl]morpholine is sourced from PubChem (CID 10245904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).