N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide

C20H20N2OS — CID 143542459

IUPACN-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide
SMILESCN1CCc2cc(NS(=O)c3ccc4ccccc4c3)ccc2C1
InChIInChI=1S/C20H20N2OS/c1-22-11-10-17-12-19(8-6-18(17)14-22)21-24(23)20-9-7-15-4-2-3-5-16(15)13-20/h2-9,12-13,21H,10-11,14H2,1H3
InChIKeyGALIVUZZNSYILY-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.96
Rot. Bonds3

About N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide

N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide (PubChem CID 143542459) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide.

Molecular Properties

Compound NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide
PubChem CID143542459
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide
SMILESCN1CCc2cc(NS(=O)c3ccc4ccccc4c3)ccc2C1
InChIInChI=1S/C20H20N2OS/c1-22-11-10-17-12-19(8-6-18(17)14-22)21-24(23)20-9-7-15-4-2-3-5-16(15)13-20/h2-9,12-13,21H,10-11,14H2,1H3
InChIKeyGALIVUZZNSYILY-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide?
The IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide (CID 143542459) is N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide.
What is the SMILES notation for N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide?
The canonical SMILES for N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide is CN1CCc2cc(NS(=O)c3ccc4ccccc4c3)ccc2C1.
What is the InChIKey of N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide?
The InChIKey is GALIVUZZNSYILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-22-11-10-17-12-19(8-6-18(17)14-22)21-24(23)20-9-7-15-4-2-3-5-16(15)13-20/h2-9,12-13,21H,10-11,14H2,1H3.
What are the key properties of N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide?
N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide has a molecular weight of 336.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)naphthalene-2-sulfinamide is sourced from PubChem (CID 143542459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).