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

C15H22N2O3S — CID 43611266

IUPACN-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1cccc2c1CCNC2
InChIInChI=1S/C15H22N2O3S/c1-17(13-6-9-20-10-7-13)21(18,19)15-4-2-3-12-11-16-8-5-14(12)15/h2-4,13,16H,5-11H2,1H3
InChIKeyGTBOPMQYYKWHHI-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.13
Rot. Bonds3

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

N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (PubChem CID 43611266) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
PubChem CID43611266
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1cccc2c1CCNC2
InChIInChI=1S/C15H22N2O3S/c1-17(13-6-9-20-10-7-13)21(18,19)15-4-2-3-12-11-16-8-5-14(12)15/h2-4,13,16H,5-11H2,1H3
InChIKeyGTBOPMQYYKWHHI-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (CID 43611266) is N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is CN(C1CCOCC1)S(=O)(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The InChIKey is GTBOPMQYYKWHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(13-6-9-20-10-7-13)21(18,19)15-4-2-3-12-11-16-8-5-14(12)15/h2-4,13,16H,5-11H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is sourced from PubChem (CID 43611266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).