3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine

C18H23NO3S2 — CID 110410538

IUPAC3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(COc3ccccc3C)C2)s1
InChIInChI=1S/C18H23NO3S2/c1-14-6-3-4-8-17(14)22-13-16-7-5-11-19(12-16)24(20,21)18-10-9-15(2)23-18/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3
InChIKeyPSDSQILOOOSZAM-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.84
Rot. Bonds5

About 3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine

3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine (PubChem CID 110410538) has the molecular formula C18H23NO3S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine
PubChem CID110410538
Molecular FormulaC18H23NO3S2
Molecular Weight365.52 g/mol
Exact Mass365.11
IUPAC Name3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(COc3ccccc3C)C2)s1
InChIInChI=1S/C18H23NO3S2/c1-14-6-3-4-8-17(14)22-13-16-7-5-11-19(12-16)24(20,21)18-10-9-15(2)23-18/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3
InChIKeyPSDSQILOOOSZAM-UHFFFAOYSA-N
XLogP3.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylphenoxy)methyl]-1-propylsulfonylpiperidine
CID 110638480
N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide
CID 131907172
2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879120
2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine
CID 138989165
N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 131923811
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 110874340
(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 30534952
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 46521682
1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
CID 121092333
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707
3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine
CID 110410428

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine (CID 110410538) is 3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCCC(COc3ccccc3C)C2)s1.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The InChIKey is PSDSQILOOOSZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S2/c1-14-6-3-4-8-17(14)22-13-16-7-5-11-19(12-16)24(20,21)18-10-9-15(2)23-18/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3.
What are the key properties of 3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine has a molecular weight of 365.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 110410538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).