N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C15H24N2O2S — CID 43274009

IUPACN-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H24N2O2S/c1-4-17(11-12(2)3)20(18,19)14-7-8-15-13(10-14)6-5-9-16-15/h7-8,10,12,16H,4-6,9,11H2,1-3H3
InChIKeyCRWBIVYCECQAKI-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 43274009) 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-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID43274009
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H24N2O2S/c1-4-17(11-12(2)3)20(18,19)14-7-8-15-13(10-14)6-5-9-16-15/h7-8,10,12,16H,4-6,9,11H2,1-3H3
InChIKeyCRWBIVYCECQAKI-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 43274009) is N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide is CCN(CC(C)C)S(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is CRWBIVYCECQAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17(11-12(2)3)20(18,19)14-7-8-15-13(10-14)6-5-9-16-15/h7-8,10,12,16H,4-6,9,11H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-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-6-sulfonamide is sourced from PubChem (CID 43274009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).