(1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline

C11H15NS — CID 130741278

IUPAC(1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
SMILESCSc1ccc2c(c1)CCN[C@@H]2C
InChIInChI=1S/C11H15NS/c1-8-11-4-3-10(13-2)7-9(11)5-6-12-8/h3-4,7-8,12H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyCKAWUUDGAQOASG-MRVPVSSYSA-N
MW193.32 g/mol
LogP2.62
Rot. Bonds1

About (1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline

(1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 130741278) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is (1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID130741278
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name(1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
SMILESCSc1ccc2c(c1)CCN[C@@H]2C
InChIInChI=1S/C11H15NS/c1-8-11-4-3-10(13-2)7-9(11)5-6-12-8/h3-4,7-8,12H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyCKAWUUDGAQOASG-MRVPVSSYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 96980969
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 130607773
(1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 178029828
1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 83963307
1-methyl-7-(methylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 138530781
(1R)-5-methylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 55293922
7-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
CID 10154309
3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol
CID 164531538
5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 177021750
8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline
CID 83376428
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol
CID 83956538

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline (CID 130741278) is (1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline is CSc1ccc2c(c1)CCN[C@@H]2C.
What is the InChIKey of (1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CKAWUUDGAQOASG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8-11-4-3-10(13-2)7-9(11)5-6-12-8/h3-4,7-8,12H,5-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline?
(1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 193.32 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 130741278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).