(4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine

C10H13NS — CID 82887712

IUPAC(4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCc1cccc2c1CSC[C@@H]2N
InChIInChI=1S/C10H13NS/c1-7-3-2-4-8-9(7)5-12-6-10(8)11/h2-4,10H,5-6,11H2,1H3/t10-/m0/s1
InChIKeyHHVFEEVMOFYKBB-JTQLQIEISA-N
MW179.29 g/mol
LogP2.24
Rot. Bonds

About (4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine

(4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 82887712) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name(4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID82887712
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCc1cccc2c1CSC[C@@H]2N
InChIInChI=1S/C10H13NS/c1-7-3-2-4-8-9(7)5-12-6-10(8)11/h2-4,10H,5-6,11H2,1H3/t10-/m0/s1
InChIKeyHHVFEEVMOFYKBB-JTQLQIEISA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of (4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine (CID 82887712) is (4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for (4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for (4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine is Cc1cccc2c1CSC[C@@H]2N.
What is the InChIKey of (4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is HHVFEEVMOFYKBB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NS/c1-7-3-2-4-8-9(7)5-12-6-10(8)11/h2-4,10H,5-6,11H2,1H3/t10-/m0/s1.
What are the key properties of (4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
(4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 179.29 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 82887712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).