N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C15H24N2O2S — CID 43274848

IUPACN-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H24N2O2S/c1-4-12(3)17(5-2)20(18,19)14-8-9-15-13(11-14)7-6-10-16-15/h8-9,11-12,16H,4-7,10H2,1-3H3
InChIKeyCDBGOGYWBULHPP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.85
Rot. Bonds5

About N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 43274848) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID43274848
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H24N2O2S/c1-4-12(3)17(5-2)20(18,19)14-8-9-15-13(11-14)7-6-10-16-15/h8-9,11-12,16H,4-7,10H2,1-3H3
InChIKeyCDBGOGYWBULHPP-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274009
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61452430
N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421858
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 54884366
N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 22692420
N-methyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119880
N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62856404
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 107200792
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43265846

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 43274848) is N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is CCC(C)N(CC)S(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is CDBGOGYWBULHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-12(3)17(5-2)20(18,19)14-8-9-15-13(11-14)7-6-10-16-15/h8-9,11-12,16H,4-7,10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 43274848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).