1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine

C18H22FNO3S2 — CID 110639091

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(COc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H22FNO3S2/c1-2-17-7-8-18(24-17)25(21,22)20-11-9-14(10-12-20)13-23-16-5-3-15(19)4-6-16/h3-8,14H,2,9-13H2,1H3
InChIKeyXRAGOXFWMTUTCC-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.93
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine

1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine (PubChem CID 110639091) has the molecular formula C18H22FNO3S2 and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine
PubChem CID110639091
Molecular FormulaC18H22FNO3S2
Molecular Weight383.51 g/mol
Exact Mass383.10
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(COc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H22FNO3S2/c1-2-17-7-8-18(24-17)25(21,22)20-11-9-14(10-12-20)13-23-16-5-3-15(19)4-6-16/h3-8,14H,2,9-13H2,1H3
InChIKeyXRAGOXFWMTUTCC-UHFFFAOYSA-N
XLogP3.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589870
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
CID 121092333
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110359006
3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 90494813
4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 90494131
2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine
CID 138989165
1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590289
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522198

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine (CID 110639091) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine is CCc1ccc(S(=O)(=O)N2CCC(COc3ccc(F)cc3)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine?
The InChIKey is XRAGOXFWMTUTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S2/c1-2-17-7-8-18(24-17)25(21,22)20-11-9-14(10-12-20)13-23-16-5-3-15(19)4-6-16/h3-8,14H,2,9-13H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine has a molecular weight of 383.51 g/mol, XLogP of 3.93, 6 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-[(4-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 110639091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).