1,2-dimethyl-3-methylsulfinylindole

C11H13NOS — CID 57282219

IUPAC1,2-dimethyl-3-methylsulfinylindole
SMILESCc1c(S(C)=O)c2ccccc2n1C
InChIInChI=1S/C11H13NOS/c1-8-11(14(3)13)9-6-4-5-7-10(9)12(8)2/h4-7H,1-3H3
InChIKeyYJIPZAZYGIZVOR-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.22
Rot. Bonds1

About 1,2-dimethyl-3-methylsulfinylindole

1,2-dimethyl-3-methylsulfinylindole (PubChem CID 57282219) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1,2-dimethyl-3-methylsulfinylindole.

Molecular Properties

Compound Name1,2-dimethyl-3-methylsulfinylindole
PubChem CID57282219
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1,2-dimethyl-3-methylsulfinylindole
SMILESCc1c(S(C)=O)c2ccccc2n1C
InChIInChI=1S/C11H13NOS/c1-8-11(14(3)13)9-6-4-5-7-10(9)12(8)2/h4-7H,1-3H3
InChIKeyYJIPZAZYGIZVOR-UHFFFAOYSA-N
XLogP2.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-methylsulfinylindole?
The IUPAC name of 1,2-dimethyl-3-methylsulfinylindole (CID 57282219) is 1,2-dimethyl-3-methylsulfinylindole.
What is the SMILES notation for 1,2-dimethyl-3-methylsulfinylindole?
The canonical SMILES for 1,2-dimethyl-3-methylsulfinylindole is Cc1c(S(C)=O)c2ccccc2n1C.
What is the InChIKey of 1,2-dimethyl-3-methylsulfinylindole?
The InChIKey is YJIPZAZYGIZVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-8-11(14(3)13)9-6-4-5-7-10(9)12(8)2/h4-7H,1-3H3.
What are the key properties of 1,2-dimethyl-3-methylsulfinylindole?
1,2-dimethyl-3-methylsulfinylindole has a molecular weight of 207.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-methylsulfinylindole is sourced from PubChem (CID 57282219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).