1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine

C13H13BrN2O2S2 — CID 61458101

IUPAC1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2S(=O)(=O)c1sccc1Br
InChIInChI=1S/C13H13BrN2O2S2/c14-11-5-7-19-13(11)20(17,18)16-6-1-2-9-8-10(15)3-4-12(9)16/h3-5,7-8H,1-2,6,15H2
InChIKeyXNQAXSXHKQHPCY-UHFFFAOYSA-N
MW373.30 g/mol
LogP3.23
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine

1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 61458101) has the molecular formula C13H13BrN2O2S2 and a molecular weight of 373.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID61458101
Molecular FormulaC13H13BrN2O2S2
Molecular Weight373.30 g/mol
Exact Mass371.96
IUPAC Name1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2S(=O)(=O)c1sccc1Br
InChIInChI=1S/C13H13BrN2O2S2/c14-11-5-7-19-13(11)20(17,18)16-6-1-2-9-8-10(15)3-4-12(9)16/h3-5,7-8H,1-2,6,15H2
InChIKeyXNQAXSXHKQHPCY-UHFFFAOYSA-N
XLogP3.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61062442
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 62374780
6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28783515
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
1-(3-bromothiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335900
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
methyl 2-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]acetate
CID 61456955
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 106465544
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine
CID 103413778

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine (CID 61458101) is 1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine is Nc1ccc2c(c1)CCCN2S(=O)(=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is XNQAXSXHKQHPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S2/c14-11-5-7-19-13(11)20(17,18)16-6-1-2-9-8-10(15)3-4-12(9)16/h3-5,7-8H,1-2,6,15H2.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 373.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 61458101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).