(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine

C11H16N2O2S — CID 68565026

IUPAC(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine
SMILESCS(=O)(=O)c1ccc2c(c1)C(CN)NCC2
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)9-3-2-8-4-5-13-11(7-12)10(8)6-9/h2-3,6,11,13H,4-5,7,12H2,1H3
InChIKeyAIPYSYFEDYBULS-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.24
Rot. Bonds2

About (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine

(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine (PubChem CID 68565026) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine
PubChem CID68565026
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine
SMILESCS(=O)(=O)c1ccc2c(c1)C(CN)NCC2
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)9-3-2-8-4-5-13-11(7-12)10(8)6-9/h2-3,6,11,13H,4-5,7,12H2,1H3
InChIKeyAIPYSYFEDYBULS-UHFFFAOYSA-N
XLogP0.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis((E)-but-2-enedioic acid);1-ethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrate
CID 174700152
7-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 23336575
1-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778106
methanesulfonic acid;7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 88641424
7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 175738988
(3R)-3-(fluoromethyl)-7-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 100950995
6-methylsulfonyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 70832765
5-methylsulfonyl-2,3-dihydro-1H-isoindole
CID 122493957
1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 11287190
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 83358890
1-[(4-methylsulfonylphenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 175846511

Frequently Asked Questions

What is the IUPAC name of (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
The IUPAC name of (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine (CID 68565026) is (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine.
What is the SMILES notation for (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
The canonical SMILES for (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine is CS(=O)(=O)c1ccc2c(c1)C(CN)NCC2.
What is the InChIKey of (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
The InChIKey is AIPYSYFEDYBULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(14,15)9-3-2-8-4-5-13-11(7-12)10(8)6-9/h2-3,6,11,13H,4-5,7,12H2,1H3.
What are the key properties of (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine has a molecular weight of 240.33 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine is sourced from PubChem (CID 68565026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).