1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

C12H17BrN2O2S — CID 115316542

IUPAC1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O2S/c1-14-9-10-5-4-8-15(10)18(16,17)12-7-3-2-6-11(12)13/h2-3,6-7,10,14H,4-5,8-9H2,1H3
InChIKeyQRLHJLVOHNCFLL-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.82
Rot. Bonds4

About 1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 115316542) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
PubChem CID115316542
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O2S/c1-14-9-10-5-4-8-15(10)18(16,17)12-7-3-2-6-11(12)13/h2-3,6-7,10,14H,4-5,8-9H2,1H3
InChIKeyQRLHJLVOHNCFLL-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712080
1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine
CID 63400724
2-(2-bromoethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80670333
1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine
CID 63396570
methyl 2-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119991295
1-[(2S)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574941
1-[(2S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 124685807
N-methyl-1-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63250411
1-[(2R)-1-(5-bromo-2-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124687563
1-[1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285310
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61203801

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine (CID 115316542) is 1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is QRLHJLVOHNCFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-14-9-10-5-4-8-15(10)18(16,17)12-7-3-2-6-11(12)13/h2-3,6-7,10,14H,4-5,8-9H2,1H3.
What are the key properties of 1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 333.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 115316542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).