1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine

C13H21NO3S2 — CID 121092333

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC(COC)C2)s1
InChIInChI=1S/C13H21NO3S2/c1-3-12-6-7-13(18-12)19(15,16)14-8-4-5-11(9-14)10-17-2/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyZTZDDYJQYDYLHZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.36
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine

1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine (PubChem CID 121092333) has the molecular formula C13H21NO3S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
PubChem CID121092333
Molecular FormulaC13H21NO3S2
Molecular Weight303.45 g/mol
Exact Mass303.10
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC(COC)C2)s1
InChIInChI=1S/C13H21NO3S2/c1-3-12-6-7-13(18-12)19(15,16)14-8-4-5-11(9-14)10-17-2/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyZTZDDYJQYDYLHZ-UHFFFAOYSA-N
XLogP2.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine
CID 138989165
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
5-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 90642809
3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane
CID 121146791
N-(2-aminoethyl)-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119971441
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907136
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine (CID 121092333) is 1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine is CCc1ccc(S(=O)(=O)N2CCCC(COC)C2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine?
The InChIKey is ZTZDDYJQYDYLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S2/c1-3-12-6-7-13(18-12)19(15,16)14-8-4-5-11(9-14)10-17-2/h6-7,11H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine has a molecular weight of 303.45 g/mol, XLogP of 2.36, 5 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-3-(methoxymethyl)piperidine is sourced from PubChem (CID 121092333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).