1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine

C15H19NO2S3 — CID 90522198

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)s1
InChIInChI=1S/C15H19NO2S3/c1-2-13-5-6-15(20-13)21(17,18)16-9-7-12(8-10-16)14-4-3-11-19-14/h3-6,11-12H,2,7-10H2,1H3
InChIKeyFESXTJRPOQPZGN-UHFFFAOYSA-N
MW341.52 g/mol
LogP3.94
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine

1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine (PubChem CID 90522198) has the molecular formula C15H19NO2S3 and a molecular weight of 341.52 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
PubChem CID90522198
Molecular FormulaC15H19NO2S3
Molecular Weight341.52 g/mol
Exact Mass341.06
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)s1
InChIInChI=1S/C15H19NO2S3/c1-2-13-5-6-15(20-13)21(17,18)16-9-7-12(8-10-16)14-4-3-11-19-14/h3-6,11-12H,2,7-10H2,1H3
InChIKeyFESXTJRPOQPZGN-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110708849
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590289
6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 110405449
3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522211
1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589870

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine (CID 90522198) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine is CCc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine?
The InChIKey is FESXTJRPOQPZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S3/c1-2-13-5-6-15(20-13)21(17,18)16-9-7-12(8-10-16)14-4-3-11-19-14/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine has a molecular weight of 341.52 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine is sourced from PubChem (CID 90522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).