5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole

C19H21NS — CID 162407809

IUPAC5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)(Sc1ccccc1)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H21NS/c1-19(2,21-16-11-7-4-8-12-16)18-14-13-17(20-18)15-9-5-3-6-10-15/h3-12,18H,13-14H2,1-2H3
InChIKeySXWOPVHBYPPVFA-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.21
Rot. Bonds4

About 5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole

5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole (PubChem CID 162407809) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole
PubChem CID162407809
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)(Sc1ccccc1)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H21NS/c1-19(2,21-16-11-7-4-8-12-16)18-14-13-17(20-18)15-9-5-3-6-10-15/h3-12,18H,13-14H2,1-2H3
InChIKeySXWOPVHBYPPVFA-UHFFFAOYSA-N
XLogP5.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole (CID 162407809) is 5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole is CC(C)(Sc1ccccc1)C1CCC(c2ccccc2)=N1.
What is the InChIKey of 5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole?
The InChIKey is SXWOPVHBYPPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-19(2,21-16-11-7-4-8-12-16)18-14-13-17(20-18)15-9-5-3-6-10-15/h3-12,18H,13-14H2,1-2H3.
What are the key properties of 5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole?
5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole has a molecular weight of 295.45 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 162407809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).