1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine

C13H21N3O4S2 — CID 110623286

IUPAC1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESCCCNS(=O)(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C13H21N3O4S2/c1-3-8-14-22(19,20)15-12-6-7-13-11(10-12)5-4-9-16(13)21(2,17)18/h6-7,10,14-15H,3-5,8-9H2,1-2H3
InChIKeyDOHJUKGGAYXTGA-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.06
Rot. Bonds6

About 1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine

1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 110623286) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
PubChem CID110623286
Molecular FormulaC13H21N3O4S2
Molecular Weight347.46 g/mol
Exact Mass347.10
IUPAC Name1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESCCCNS(=O)(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C13H21N3O4S2/c1-3-8-14-22(19,20)15-12-6-7-13-11(10-12)5-4-9-16(13)21(2,17)18/h6-7,10,14-15H,3-5,8-9H2,1-2H3
InChIKeyDOHJUKGGAYXTGA-UHFFFAOYSA-N
XLogP1.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623287
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 7635711
1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 112506000
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 102661391
N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 110623316
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 166559541
1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone
CID 110627257
6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 19785606
N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 110622796
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27368931

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine (CID 110623286) is 1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine is CCCNS(=O)(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is DOHJUKGGAYXTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c1-3-8-14-22(19,20)15-12-6-7-13-11(10-12)5-4-9-16(13)21(2,17)18/h6-7,10,14-15H,3-5,8-9H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine?
1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 347.46 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 110623286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).