(3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol

C11H15NOS — CID 83916726

IUPAC(3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol
SMILESCSc1ccc2c(c1)NC(CO)C2C
InChIInChI=1S/C11H15NOS/c1-7-9-4-3-8(14-2)5-10(9)12-11(7)6-13/h3-5,7,11-13H,6H2,1-2H3
InChIKeyZSSQZRJRRNCJHZ-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.30
Rot. Bonds2

About (3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol

(3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol (PubChem CID 83916726) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol
PubChem CID83916726
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol
SMILESCSc1ccc2c(c1)NC(CO)C2C
InChIInChI=1S/C11H15NOS/c1-7-9-4-3-8(14-2)5-10(9)12-11(7)6-13/h3-5,7,11-13H,6H2,1-2H3
InChIKeyZSSQZRJRRNCJHZ-UHFFFAOYSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol?
The IUPAC name of (3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol (CID 83916726) is (3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol.
What is the SMILES notation for (3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol?
The canonical SMILES for (3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol is CSc1ccc2c(c1)NC(CO)C2C.
What is the InChIKey of (3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol?
The InChIKey is ZSSQZRJRRNCJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-9-4-3-8(14-2)5-10(9)12-11(7)6-13/h3-5,7,11-13H,6H2,1-2H3.
What are the key properties of (3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol?
(3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol has a molecular weight of 209.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6-methylsulfanyl-2,3-dihydro-1H-indol-2-yl)methanol is sourced from PubChem (CID 83916726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).