3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine

C16H19NO3S2 — CID 110410428

IUPAC3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C16H19NO3S2/c18-22(19,16-9-5-11-21-16)17-10-4-6-14(12-17)13-20-15-7-2-1-3-8-15/h1-3,5,7-9,11,14H,4,6,10,12-13H2
InChIKeySJWXLOCXEZGZAZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.23
Rot. Bonds5

About 3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine

3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine (PubChem CID 110410428) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine
PubChem CID110410428
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C16H19NO3S2/c18-22(19,16-9-5-11-21-16)17-10-4-6-14(12-17)13-20-15-7-2-1-3-8-15/h1-3,5,7-9,11,14H,4,6,10,12-13H2
InChIKeySJWXLOCXEZGZAZ-UHFFFAOYSA-N
XLogP3.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenoxy)methyl]-1-thiophen-2-ylsulfonylpiperidine
CID 110638586
1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 86972427
1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410424
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410419
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49246031
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 110410538
1-thiophen-2-ylsulfonylpiperidine
CID 765823
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine
CID 120973103

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine?
The IUPAC name of 3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine (CID 110410428) is 3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine.
What is the SMILES notation for 3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine?
The canonical SMILES for 3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine is O=S(=O)(c1cccs1)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of 3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine?
The InChIKey is SJWXLOCXEZGZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c18-22(19,16-9-5-11-21-16)17-10-4-6-14(12-17)13-20-15-7-2-1-3-8-15/h1-3,5,7-9,11,14H,4,6,10,12-13H2.
What are the key properties of 3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine?
3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine has a molecular weight of 337.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine is sourced from PubChem (CID 110410428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).