3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine

C19H23NOS — CID 10519278

IUPAC3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine
SMILESCC1(C)COC(Sc2ccccc2)C(C)(c2ccccc2)N1
InChIInChI=1S/C19H23NOS/c1-18(2)14-21-17(22-16-12-8-5-9-13-16)19(3,20-18)15-10-6-4-7-11-15/h4-13,17,20H,14H2,1-3H3
InChIKeySVGMUVOXFBUCKG-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.42
Rot. Bonds3

About 3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine

3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine (PubChem CID 10519278) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine.

Molecular Properties

Compound Name3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine
PubChem CID10519278
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine
SMILESCC1(C)COC(Sc2ccccc2)C(C)(c2ccccc2)N1
InChIInChI=1S/C19H23NOS/c1-18(2)14-21-17(22-16-12-8-5-9-13-16)19(3,20-18)15-10-6-4-7-11-15/h4-13,17,20H,14H2,1-3H3
InChIKeySVGMUVOXFBUCKG-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine?
The IUPAC name of 3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine (CID 10519278) is 3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine.
What is the SMILES notation for 3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine?
The canonical SMILES for 3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine is CC1(C)COC(Sc2ccccc2)C(C)(c2ccccc2)N1.
What is the InChIKey of 3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine?
The InChIKey is SVGMUVOXFBUCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-18(2)14-21-17(22-16-12-8-5-9-13-16)19(3,20-18)15-10-6-4-7-11-15/h4-13,17,20H,14H2,1-3H3.
What are the key properties of 3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine?
3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine has a molecular weight of 313.47 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-3-phenyl-2-phenylsulfanylmorpholine is sourced from PubChem (CID 10519278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).