1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine

C16H19NO2S2 — CID 90522429

IUPAC1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine
SMILESCc1cccc(S(=O)(=O)N2CCC(c3ccsc3)CC2)c1
InChIInChI=1S/C16H19NO2S2/c1-13-3-2-4-16(11-13)21(18,19)17-8-5-14(6-9-17)15-7-10-20-12-15/h2-4,7,10-12,14H,5-6,8-9H2,1H3
InChIKeyWIKVUULBHLTTJK-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.62
Rot. Bonds3

About 1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine

1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine (PubChem CID 90522429) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine
PubChem CID90522429
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC Name1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine
SMILESCc1cccc(S(=O)(=O)N2CCC(c3ccsc3)CC2)c1
InChIInChI=1S/C16H19NO2S2/c1-13-3-2-4-16(11-13)21(18,19)17-8-5-14(6-9-17)15-7-10-20-12-15/h2-4,7,10-12,14H,5-6,8-9H2,1H3
InChIKeyWIKVUULBHLTTJK-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine (CID 90522429) is 1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine is Cc1cccc(S(=O)(=O)N2CCC(c3ccsc3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine?
The InChIKey is WIKVUULBHLTTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-13-3-2-4-16(11-13)21(18,19)17-8-5-14(6-9-17)15-7-10-20-12-15/h2-4,7,10-12,14H,5-6,8-9H2,1H3.
What are the key properties of 1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine?
1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine has a molecular weight of 321.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine is sourced from PubChem (CID 90522429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).