(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid

C9H9Br2NO4S2 — CID 78923103

IUPAC(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H9Br2NO4S2/c10-7-4-6(8(11)17-7)18(15,16)12-3-1-2-5(12)9(13)14/h4-5H,1-3H2,(H,13,14)/t5-/m1/s1
InChIKeyLVRDGUBNLSEZFD-RXMQYKEDSA-N
MW419.12 g/mol
LogP2.51
Rot. Bonds3

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

(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 78923103) has the molecular formula C9H9Br2NO4S2 and a molecular weight of 419.12 g/mol. Its IUPAC name is (2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID78923103
Molecular FormulaC9H9Br2NO4S2
Molecular Weight419.12 g/mol
Exact Mass416.83
IUPAC Name(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H9Br2NO4S2/c10-7-4-6(8(11)17-7)18(15,16)12-3-1-2-5(12)9(13)14/h4-5H,1-3H2,(H,13,14)/t5-/m1/s1
InChIKeyLVRDGUBNLSEZFD-RXMQYKEDSA-N
XLogP2.51
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.12
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-bromo-5-methoxycarbonylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 61136471
[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 113284428
[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol
CID 116636696
1-(2,5-dibromothiophen-3-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 43361551
5-bromo-4-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43473936
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223
2-cyclopropyl-3-(2,5-dibromothiophen-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781514
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084326
1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 80578410
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55169537
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine
CID 60652131

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 78923103) is (2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of (2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is LVRDGUBNLSEZFD-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9Br2NO4S2/c10-7-4-6(8(11)17-7)18(15,16)12-3-1-2-5(12)9(13)14/h4-5H,1-3H2,(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 419.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78923103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).