(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine

C11H15BrN2O3S — CID 113282428

IUPAC(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-17-11-3-2-9(6-10(11)12)18(15,16)14-5-4-8(13)7-14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
InChIKeyJAZMBEUFCMZGSQ-QMMMGPOBSA-N
MW335.22 g/mol
LogP1.18
Rot. Bonds3

About (3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine

(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 113282428) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is (3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
PubChem CID113282428
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-17-11-3-2-9(6-10(11)12)18(15,16)14-5-4-8(13)7-14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
InChIKeyJAZMBEUFCMZGSQ-QMMMGPOBSA-N
XLogP1.18
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine
CID 61060166
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
CID 43502818
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 115301671
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
(3R)-1-(3-bromo-4-methoxyphenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95345944
[1-(3-bromo-4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972110

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine (CID 113282428) is (3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine is COc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1Br.
What is the InChIKey of (3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is JAZMBEUFCMZGSQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-17-11-3-2-9(6-10(11)12)18(15,16)14-5-4-8(13)7-14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine?
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 335.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 113282428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).