1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine

C17H21NO3S2 — CID 90522211

IUPAC1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H21NO3S2/c1-2-21-15-6-3-4-8-17(15)23(19,20)18-11-9-14(10-12-18)16-7-5-13-22-16/h3-8,13-14H,2,9-12H2,1H3
InChIKeyVRXDFOCWXHMMHI-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.72
Rot. Bonds5

About 1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine

1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine (PubChem CID 90522211) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine
PubChem CID90522211
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H21NO3S2/c1-2-21-15-6-3-4-8-17(15)23(19,20)18-11-9-14(10-12-18)16-7-5-13-22-16/h3-8,13-14H,2,9-12H2,1H3
InChIKeyVRXDFOCWXHMMHI-UHFFFAOYSA-N
XLogP3.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyphenyl)sulfonyl-7-thiophen-2-yl-1,4-thiazepane 1,1-dioxide
CID 121191701
4-(2-ethoxyphenyl)sulfonyl-7-(furan-2-yl)-1,4-thiazepane
CID 90632498
3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160525
1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522191
3-(benzenesulfonyl)-1-(2-ethoxyphenyl)sulfonylpyrrolidine
CID 71805611
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522198
4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617489
1-(2-ethoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592429
1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
CID 90617008
3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 27655967
1-(2-methoxy-5-methylphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703855

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine?
The IUPAC name of 1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine (CID 90522211) is 1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine.
What is the SMILES notation for 1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine?
The canonical SMILES for 1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine is CCOc1ccccc1S(=O)(=O)N1CCC(c2cccs2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine?
The InChIKey is VRXDFOCWXHMMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-2-21-15-6-3-4-8-17(15)23(19,20)18-11-9-14(10-12-18)16-7-5-13-22-16/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine?
1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine has a molecular weight of 351.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine is sourced from PubChem (CID 90522211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).