(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine

C11H15BrN2O2S — CID 94340271

IUPAC(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](N)C1
InChIInChI=1S/C11H15BrN2O2S/c1-8-2-3-9(12)6-11(8)17(15,16)14-5-4-10(13)7-14/h2-3,6,10H,4-5,7,13H2,1H3/t10-/m0/s1
InChIKeyWUAPYENQFQLYIQ-JTQLQIEISA-N
MW319.22 g/mol
LogP1.48
Rot. Bonds2

About (3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine

(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 94340271) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is (3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
PubChem CID94340271
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](N)C1
InChIInChI=1S/C11H15BrN2O2S/c1-8-2-3-9(12)6-11(8)17(15,16)14-5-4-10(13)7-14/h2-3,6,10H,4-5,7,13H2,1H3/t10-/m0/s1
InChIKeyWUAPYENQFQLYIQ-JTQLQIEISA-N
XLogP1.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
1-(2-methyl-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-amine
CID 119971740
1-(5-bromo-2-methylphenyl)sulfonyl-4-methylpiperidin-3-ol
CID 103896903
1-(5-bromo-2-methylphenyl)sulfonyl-3-propan-2-ylpyrrolidine
CID 113418445
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
CID 120705873
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
1-(5-bromo-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031826
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
(1S)-1-[(3S)-1-(5-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678246
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 119959333
2-[1-(5-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]acetic acid
CID 62689914

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine (CID 94340271) is (3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine is Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is WUAPYENQFQLYIQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-8-2-3-9(12)6-11(8)17(15,16)14-5-4-10(13)7-14/h2-3,6,10H,4-5,7,13H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine?
(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 319.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 94340271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).