[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C11H16BrClN2O2S — CID 119988893

IUPAC[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2S.ClH/c12-9-3-1-5-11(7-9)17(15,16)14-6-2-4-10(14)8-13;/h1,3,5,7,10H,2,4,6,8,13H2;1H
InChIKeyGCYIXRVIUJMTLC-UHFFFAOYSA-N
MW355.69 g/mol
LogP1.98
Rot. Bonds3

About [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119988893) has the molecular formula C11H16BrClN2O2S and a molecular weight of 355.69 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119988893
Molecular FormulaC11H16BrClN2O2S
Molecular Weight355.69 g/mol
Exact Mass353.98
IUPAC Name[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2S.ClH/c12-9-3-1-5-11(7-9)17(15,16)14-6-2-4-10(14)8-13;/h1,3,5,7,10H,2,4,6,8,13H2;1H
InChIKeyGCYIXRVIUJMTLC-UHFFFAOYSA-N
XLogP1.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
[1-(3-bromophenyl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506000
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 119988615
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284408
(4aS,8aS)-1-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926523
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124702661

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 119988893) is [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is GCYIXRVIUJMTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S.ClH/c12-9-3-1-5-11(7-9)17(15,16)14-6-2-4-10(14)8-13;/h1,3,5,7,10H,2,4,6,8,13H2;1H.
What are the key properties of [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 355.69 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119988893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).