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

C13H21N3O4S2 — CID 110623287

IUPAC1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESCC(C)NS(=O)(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C13H21N3O4S2/c1-10(2)14-22(19,20)15-12-6-7-13-11(9-12)5-4-8-16(13)21(3,17)18/h6-7,9-10,14-15H,4-5,8H2,1-3H3
InChIKeyFGFRQHCVLIXHRA-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.05
Rot. Bonds5

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

1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 110623287) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
PubChem CID110623287
Molecular FormulaC13H21N3O4S2
Molecular Weight347.46 g/mol
Exact Mass347.10
IUPAC Name1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESCC(C)NS(=O)(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C13H21N3O4S2/c1-10(2)14-22(19,20)15-12-6-7-13-11(9-12)5-4-8-16(13)21(3,17)18/h6-7,9-10,14-15H,4-5,8H2,1-3H3
InChIKeyFGFRQHCVLIXHRA-UHFFFAOYSA-N
XLogP1.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 7635711
1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623286
1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 112506000
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 19785606
N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 110622796
N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658172
N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 110623316
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)piperidine-4-carboxamide
CID 22690154
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide
CID 168653982
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-nitrobenzamide
CID 7657972

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine (CID 110623287) is 1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine is CC(C)NS(=O)(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is FGFRQHCVLIXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c1-10(2)14-22(19,20)15-12-6-7-13-11(9-12)5-4-8-16(13)21(3,17)18/h6-7,9-10,14-15H,4-5,8H2,1-3H3.
What are the key properties of 1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine?
1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 347.46 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 110623287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).