1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine

C11H16ClNO2S2 — CID 19682804

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S2/c1-2-9-5-3-4-8-13(9)17(14,15)11-7-6-10(12)16-11/h6-7,9H,2-5,8H2,1H3
InChIKeyKULFJOKFBMDETQ-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.35
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine

1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine (PubChem CID 19682804) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
PubChem CID19682804
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S2/c1-2-9-5-3-4-8-13(9)17(14,15)11-7-6-10(12)16-11/h6-7,9H,2-5,8H2,1H3
InChIKeyKULFJOKFBMDETQ-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316543
2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
CID 90585727
2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 110429024
5-(2-ethylpiperidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270307
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate
CID 126850171
[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 16801813
5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270510
1-[5-(chloromethyl)-4-methylthiophen-2-yl]sulfonyl-2-ethylazepane
CID 104692838
4-(5-chlorothiophen-2-yl)sulfonyl-3-(piperidin-1-ylmethyl)-1,4-thiazepane
CID 90569033
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole
CID 131915901
(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine (CID 19682804) is 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine is CCC1CCCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine?
The InChIKey is KULFJOKFBMDETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c1-2-9-5-3-4-8-13(9)17(14,15)11-7-6-10(12)16-11/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine?
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine has a molecular weight of 293.84 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine is sourced from PubChem (CID 19682804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).