(2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine

C9H12BrNO2S2 — CID 124885695

IUPAC(2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCC[C@H]1c1ccc(Br)s1
InChIInChI=1S/C9H12BrNO2S2/c1-15(12,13)11-6-2-3-7(11)8-4-5-9(10)14-8/h4-5,7H,2-3,6H2,1H3/t7-/m0/s1
InChIKeyLIUNCFKKCXVZIP-ZETCQYMHSA-N
MW310.24 g/mol
LogP2.61
Rot. Bonds2

About (2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine

(2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine (PubChem CID 124885695) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is (2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine
PubChem CID124885695
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC Name(2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCC[C@H]1c1ccc(Br)s1
InChIInChI=1S/C9H12BrNO2S2/c1-15(12,13)11-6-2-3-7(11)8-4-5-9(10)14-8/h4-5,7H,2-3,6H2,1H3/t7-/m0/s1
InChIKeyLIUNCFKKCXVZIP-ZETCQYMHSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
CID 51694759
5-bromo-4-methyl-2-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 95804178
1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120855842
2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine
CID 83665520
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 94080774
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine
CID 63422446
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
CID 51694778
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51855580
3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole
CID 53009594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine?
The IUPAC name of (2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine (CID 124885695) is (2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine is CS(=O)(=O)N1CCC[C@H]1c1ccc(Br)s1.
What is the InChIKey of (2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine?
The InChIKey is LIUNCFKKCXVZIP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c1-15(12,13)11-6-2-3-7(11)8-4-5-9(10)14-8/h4-5,7H,2-3,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine?
(2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine has a molecular weight of 310.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 124885695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).