N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C16H26N2O2S — CID 65042936

IUPACN-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H26N2O2S/c1-4-16(5-2,6-3)18-21(19,20)14-9-10-15-13(12-14)8-7-11-17-15/h9-10,12,17-18H,4-8,11H2,1-3H3
InChIKeyNGOITIVPYOTKNN-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.29
Rot. Bonds6

About N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 65042936) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID65042936
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H26N2O2S/c1-4-16(5-2,6-3)18-21(19,20)14-9-10-15-13(12-14)8-7-11-17-15/h9-10,12,17-18H,4-8,11H2,1-3H3
InChIKeyNGOITIVPYOTKNN-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274848
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769
N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62056573
N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61461227
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43363863
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 106402225
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274009

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 65042936) is N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide is CCC(CC)(CC)NS(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is NGOITIVPYOTKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-16(5-2,6-3)18-21(19,20)14-9-10-15-13(12-14)8-7-11-17-15/h9-10,12,17-18H,4-8,11H2,1-3H3.
What are the key properties of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 65042936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).