4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine

C15H15NO2S2 — CID 2738369

IUPAC4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccsc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C15H15NO2S2/c17-20(18,15-8-11-19-12-15)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-6,8,11-12H,7,9-10H2
InChIKeyVPZRODBMMLKAGQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.23
Rot. Bonds3

About 4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine

4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 2738369) has the molecular formula C15H15NO2S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID2738369
Molecular FormulaC15H15NO2S2
Molecular Weight305.42 g/mol
Exact Mass305.05
IUPAC Name4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccsc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C15H15NO2S2/c17-20(18,15-8-11-19-12-15)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-6,8,11-12H,7,9-10H2
InChIKeyVPZRODBMMLKAGQ-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine (CID 2738369) is 4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine is O=S(=O)(c1ccsc1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is VPZRODBMMLKAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S2/c17-20(18,15-8-11-19-12-15)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-6,8,11-12H,7,9-10H2.
What are the key properties of 4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine?
4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 305.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 2738369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).