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

C14H22N2O3S — CID 61452430

IUPACN-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H22N2O3S/c1-11(10-19-3)16(2)20(17,18)13-6-7-14-12(9-13)5-4-8-15-14/h6-7,9,11,15H,4-5,8,10H2,1-3H3
InChIKeyQRKBVJMKVKAYAY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.70
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 61452430) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID61452430
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H22N2O3S/c1-11(10-19-3)16(2)20(17,18)13-6-7-14-12(9-13)5-4-8-15-14/h6-7,9,11,15H,4-5,8,10H2,1-3H3
InChIKeyQRKBVJMKVKAYAY-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 61452430) is N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is COCC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is QRKBVJMKVKAYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(10-19-3)16(2)20(17,18)13-6-7-14-12(9-13)5-4-8-15-14/h6-7,9,11,15H,4-5,8,10H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 61452430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).