N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

C14H22N2O3S — CID 61452422

IUPACN-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1cccc2c1CCNC2
InChIInChI=1S/C14H22N2O3S/c1-11(10-19-3)16(2)20(17,18)14-6-4-5-12-9-15-8-7-13(12)14/h4-6,11,15H,7-10H2,1-3H3
InChIKeyYQYAYGPVWNXUHS-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.99
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (PubChem CID 61452422) 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-tetrahydroisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
PubChem CID61452422
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1cccc2c1CCNC2
InChIInChI=1S/C14H22N2O3S/c1-11(10-19-3)16(2)20(17,18)14-6-4-5-12-9-15-8-7-13(12)14/h4-6,11,15H,7-10H2,1-3H3
InChIKeyYQYAYGPVWNXUHS-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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-tetrahydroisoquinoline-5-sulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (CID 61452422) is N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is COCC(C)N(C)S(=O)(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The InChIKey is YQYAYGPVWNXUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(10-19-3)16(2)20(17,18)14-6-4-5-12-9-15-8-7-13(12)14/h4-6,11,15H,7-10H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.99, 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-tetrahydroisoquinoline-5-sulfonamide is sourced from PubChem (CID 61452422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).