2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

C13H19NOS — CID 79414220

IUPAC2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1cc(C)c2c(c1)C(N)C(C)C(C)S2=O
InChIInChI=1S/C13H19NOS/c1-7-5-8(2)13-11(6-7)12(14)9(3)10(4)16(13)15/h5-6,9-10,12H,14H2,1-4H3
InChIKeyUQLAISDNDBGYID-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.45
Rot. Bonds

About 2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 79414220) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID79414220
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1cc(C)c2c(c1)C(N)C(C)C(C)S2=O
InChIInChI=1S/C13H19NOS/c1-7-5-8(2)13-11(6-7)12(14)9(3)10(4)16(13)15/h5-6,9-10,12H,14H2,1-4H3
InChIKeyUQLAISDNDBGYID-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (CID 79414220) is 2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is Cc1cc(C)c2c(c1)C(N)C(C)C(C)S2=O.
What is the InChIKey of 2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is UQLAISDNDBGYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-7-5-8(2)13-11(6-7)12(14)9(3)10(4)16(13)15/h5-6,9-10,12H,14H2,1-4H3.
What are the key properties of 2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 237.37 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 79414220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).