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

C15H24N2O3S — CID 114943139

IUPACN-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccc2c(c1)NCCC2
InChIInChI=1S/C15H24N2O3S/c1-4-20-15(2,3)11-17-21(18,19)13-8-7-12-6-5-9-16-14(12)10-13/h7-8,10,16-17H,4-6,9,11H2,1-3H3
InChIKeyYASVLEGWTYRIFF-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.14
Rot. Bonds6

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

N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide (PubChem CID 114943139) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
PubChem CID114943139
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccc2c(c1)NCCC2
InChIInChI=1S/C15H24N2O3S/c1-4-20-15(2,3)11-17-21(18,19)13-8-7-12-6-5-9-16-14(12)10-13/h7-8,10,16-17H,4-6,9,11H2,1-3H3
InChIKeyYASVLEGWTYRIFF-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 114468987
N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 113485635
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745
3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 114940446
N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide
CID 114944043
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
N-(2-ethoxy-2-methylpropyl)-2-hydrazinylpyridine-4-sulfonamide
CID 114943123
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
1,2,3,4-tetrahydroquinoline-7-sulfonic acid;hydrate
CID 71328506
3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 106086687
4-chloro-N-(2-ethoxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 114941710

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide (CID 114943139) is N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide is CCOC(C)(C)CNS(=O)(=O)c1ccc2c(c1)NCCC2.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The InChIKey is YASVLEGWTYRIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-20-15(2,3)11-17-21(18,19)13-8-7-12-6-5-9-16-14(12)10-13/h7-8,10,16-17H,4-6,9,11H2,1-3H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide is sourced from PubChem (CID 114943139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).