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

C14H22N2O3S — CID 104773691

IUPACN-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H22N2O3S/c1-2-19-11-5-10-16-20(17,18)14-8-3-7-13-12(14)6-4-9-15-13/h3,7-8,15-16H,2,4-6,9-11H2,1H3
InChIKeyFIQLYKPVAUSSBQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.75
Rot. Bonds7

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

N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 104773691) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID104773691
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H22N2O3S/c1-2-19-11-5-10-16-20(17,18)14-8-3-7-13-12(14)6-4-9-15-13/h3,7-8,15-16H,2,4-6,9-11H2,1H3
InChIKeyFIQLYKPVAUSSBQ-UHFFFAOYSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 104773691) is N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is CCOCCCNS(=O)(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is FIQLYKPVAUSSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-19-11-5-10-16-20(17,18)14-8-3-7-13-12(14)6-4-9-15-13/h3,7-8,15-16H,2,4-6,9-11H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 104773691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).