8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine

C11H15NOS — CID 61292064

IUPAC8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1CCSc2c(OC)cccc21
InChIInChI=1S/C11H15NOS/c1-12-9-6-7-14-11-8(9)4-3-5-10(11)13-2/h3-5,9,12H,6-7H2,1-2H3
InChIKeyRTYBJAAGSRAFNZ-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.45
Rot. Bonds2

About 8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine

8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61292064) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61292064
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1CCSc2c(OC)cccc21
InChIInChI=1S/C11H15NOS/c1-12-9-6-7-14-11-8(9)4-3-5-10(11)13-2/h3-5,9,12H,6-7H2,1-2H3
InChIKeyRTYBJAAGSRAFNZ-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine (CID 61292064) is 8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine is CNC1CCSc2c(OC)cccc21.
What is the InChIKey of 8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is RTYBJAAGSRAFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-12-9-6-7-14-11-8(9)4-3-5-10(11)13-2/h3-5,9,12H,6-7H2,1-2H3.
What are the key properties of 8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine?
8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 209.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61292064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).