1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine

C8H9Br2NO2S2 — CID 60652131

IUPAC1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(Br)sc1Br)N1CCCC1
InChIInChI=1S/C8H9Br2NO2S2/c9-7-5-6(8(10)14-7)15(12,13)11-3-1-2-4-11/h5H,1-4H2
InChIKeyRYFUDIUILZXTQA-UHFFFAOYSA-N
MW375.11 g/mol
LogP3.06
Rot. Bonds2

About 1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine

1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine (PubChem CID 60652131) has the molecular formula C8H9Br2NO2S2 and a molecular weight of 375.11 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine
PubChem CID60652131
Molecular FormulaC8H9Br2NO2S2
Molecular Weight375.11 g/mol
Exact Mass372.84
IUPAC Name1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(Br)sc1Br)N1CCCC1
InChIInChI=1S/C8H9Br2NO2S2/c9-7-5-6(8(10)14-7)15(12,13)11-3-1-2-4-11/h5H,1-4H2
InChIKeyRYFUDIUILZXTQA-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.11
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084326
4-(azocan-1-ylsulfonyl)-5-bromothiophene-2-carboxylic acid
CID 43173264
4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione
CID 66083813
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248513
2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849983
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104976633
[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol
CID 116636696
1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458578
(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923103
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55169537
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963191
[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 113284428

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine (CID 60652131) is 1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine is O=S(=O)(c1cc(Br)sc1Br)N1CCCC1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine?
The InChIKey is RYFUDIUILZXTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO2S2/c9-7-5-6(8(10)14-7)15(12,13)11-3-1-2-4-11/h5H,1-4H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine?
1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine has a molecular weight of 375.11 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine is sourced from PubChem (CID 60652131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).