1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine

C11H16BrNO3S2 — CID 54990170

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine
SMILESCCOC1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNO3S2/c1-2-16-9-4-3-7-13(8-9)18(14,15)11-6-5-10(12)17-11/h5-6,9H,2-4,7-8H2,1H3
InChIKeyTYORGRPKEJOJJZ-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.70
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine

1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine (PubChem CID 54990170) has the molecular formula C11H16BrNO3S2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine
PubChem CID54990170
Molecular FormulaC11H16BrNO3S2
Molecular Weight354.29 g/mol
Exact Mass352.98
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine
SMILESCCOC1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNO3S2/c1-2-16-9-4-3-7-13(8-9)18(14,15)11-6-5-10(12)17-11/h5-6,9H,2-4,7-8H2,1H3
InChIKeyTYORGRPKEJOJJZ-UHFFFAOYSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319201
ethyl (3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319204
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine
CID 95354106
N-[1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63854706
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
CID 115872296
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
CID 24654803
6-(5-bromothiophen-2-yl)sulfonyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200124
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 1006699
(3S)-1-[4-(2-bromoethoxy)phenyl]sulfonyl-3-ethoxypiperidine
CID 97339764
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 24642184

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine (CID 54990170) is 1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine is CCOC1CCCN(S(=O)(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine?
The InChIKey is TYORGRPKEJOJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S2/c1-2-16-9-4-3-7-13(8-9)18(14,15)11-6-5-10(12)17-11/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine?
1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine has a molecular weight of 354.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine is sourced from PubChem (CID 54990170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).