N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide

C13H18N2O2S — CID 113485635

IUPACN-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3c(c2)NCCC3)CC1
InChIInChI=1S/C13H18N2O2S/c1-13(6-7-13)15-18(16,17)11-5-4-10-3-2-8-14-12(10)9-11/h4-5,9,14-15H,2-3,6-8H2,1H3
InChIKeyQEXMZVKKNGBUSG-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.88
Rot. Bonds3

About N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide

N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide (PubChem CID 113485635) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
PubChem CID113485635
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3c(c2)NCCC3)CC1
InChIInChI=1S/C13H18N2O2S/c1-13(6-7-13)15-18(16,17)11-5-4-10-3-2-8-14-12(10)9-11/h4-5,9,14-15H,2-3,6-8H2,1H3
InChIKeyQEXMZVKKNGBUSG-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
CID 81108203
1,2,3,4-tetrahydroquinoline-7-sulfonic acid;hydrate
CID 71328506
N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 114943139
N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 116787348
N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 114468987
7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 79181143
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 104828898
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
2-hydroxy-5-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)benzamide
CID 130406117
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 107585860

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide (CID 113485635) is N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide is CC1(NS(=O)(=O)c2ccc3c(c2)NCCC3)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The InChIKey is QEXMZVKKNGBUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(6-7-13)15-18(16,17)11-5-4-10-3-2-8-14-12(10)9-11/h4-5,9,14-15H,2-3,6-8H2,1H3.
What are the key properties of N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide is sourced from PubChem (CID 113485635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).