N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide

C13H20N2O2S — CID 55153267

IUPACN-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide
SMILESCC1CCc2cccc(NS(=O)(=O)C(C)C)c2N1
InChIInChI=1S/C13H20N2O2S/c1-9(2)18(16,17)15-12-6-4-5-11-8-7-10(3)14-13(11)12/h4-6,9-10,14-15H,7-8H2,1-3H3
InChIKeyZJLJKQRTSOZOKW-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.58
Rot. Bonds3

About N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide

N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide (PubChem CID 55153267) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide
PubChem CID55153267
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide
SMILESCC1CCc2cccc(NS(=O)(=O)C(C)C)c2N1
InChIInChI=1S/C13H20N2O2S/c1-9(2)18(16,17)15-12-6-4-5-11-8-7-10(3)14-13(11)12/h4-6,9-10,14-15H,7-8H2,1-3H3
InChIKeyZJLJKQRTSOZOKW-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide?
The IUPAC name of N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide (CID 55153267) is N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide?
The canonical SMILES for N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide is CC1CCc2cccc(NS(=O)(=O)C(C)C)c2N1.
What is the InChIKey of N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide?
The InChIKey is ZJLJKQRTSOZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(2)18(16,17)15-12-6-4-5-11-8-7-10(3)14-13(11)12/h4-6,9-10,14-15H,7-8H2,1-3H3.
What are the key properties of N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide?
N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide is sourced from PubChem (CID 55153267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).