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

C15H15NS2 — CID 132538663

IUPAC5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole
SMILESCSc1ccsc1C1=NC(c2ccccc2)CC1
InChIInChI=1S/C15H15NS2/c1-17-14-9-10-18-15(14)13-8-7-12(16-13)11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3
InChIKeyWFDCOEIDSSJMJS-UHFFFAOYSA-N
MW273.43 g/mol
LogP4.79
Rot. Bonds3

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

5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole (PubChem CID 132538663) has the molecular formula C15H15NS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole
PubChem CID132538663
Molecular FormulaC15H15NS2
Molecular Weight273.43 g/mol
Exact Mass273.06
IUPAC Name5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole
SMILESCSc1ccsc1C1=NC(c2ccccc2)CC1
InChIInChI=1S/C15H15NS2/c1-17-14-9-10-18-15(14)13-8-7-12(16-13)11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3
InChIKeyWFDCOEIDSSJMJS-UHFFFAOYSA-N
XLogP4.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole (CID 132538663) is 5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole is CSc1ccsc1C1=NC(c2ccccc2)CC1.
What is the InChIKey of 5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is WFDCOEIDSSJMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS2/c1-17-14-9-10-18-15(14)13-8-7-12(16-13)11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3.
What are the key properties of 5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole?
5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 273.43 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 132538663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).