6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline

C11H17NOS — CID 126660897

IUPAC6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline
SMILESCC1C=C2CCN(S(C)=O)CC2=CC1
InChIInChI=1S/C11H17NOS/c1-9-3-4-11-8-12(14(2)13)6-5-10(11)7-9/h4,7,9H,3,5-6,8H2,1-2H3
InChIKeyNJBSKOVSCGOTAX-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.88
Rot. Bonds1

About 6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline

6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline (PubChem CID 126660897) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline
PubChem CID126660897
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline
SMILESCC1C=C2CCN(S(C)=O)CC2=CC1
InChIInChI=1S/C11H17NOS/c1-9-3-4-11-8-12(14(2)13)6-5-10(11)7-9/h4,7,9H,3,5-6,8H2,1-2H3
InChIKeyNJBSKOVSCGOTAX-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline?
The IUPAC name of 6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline (CID 126660897) is 6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline.
What is the SMILES notation for 6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline?
The canonical SMILES for 6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline is CC1C=C2CCN(S(C)=O)CC2=CC1.
What is the InChIKey of 6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline?
The InChIKey is NJBSKOVSCGOTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-3-4-11-8-12(14(2)13)6-5-10(11)7-9/h4,7,9H,3,5-6,8H2,1-2H3.
What are the key properties of 6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline?
6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline has a molecular weight of 211.33 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfinyl-3,4,6,7-tetrahydro-1H-isoquinoline is sourced from PubChem (CID 126660897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).