N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C15H24N2O2S — CID 104773749

IUPACN-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H24N2O2S/c1-4-17(11-12(2)3)20(18,19)15-9-5-8-14-13(15)7-6-10-16-14/h5,8-9,12,16H,4,6-7,10-11H2,1-3H3
InChIKeyGCBHLTLOADQZJA-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 104773749) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID104773749
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H24N2O2S/c1-4-17(11-12(2)3)20(18,19)15-9-5-8-14-13(15)7-6-10-16-14/h5,8-9,12,16H,4,6-7,10-11H2,1-3H3
InChIKeyGCBHLTLOADQZJA-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773741
5-propan-2-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 135388396
N-butyl-N-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773682
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274009
N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773721
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773743
N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine
CID 81215004
N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773710
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849738
N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773900
N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide
CID 104773820
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773857

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 104773749) is N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is CCN(CC(C)C)S(=O)(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is GCBHLTLOADQZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17(11-12(2)3)20(18,19)15-9-5-8-14-13(15)7-6-10-16-14/h5,8-9,12,16H,4,6-7,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 104773749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).