N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C12H17NO2S — CID 43539056

IUPACN,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1CCS(=O)(=O)c2c(C)ccc(C)c21
InChIInChI=1S/C12H17NO2S/c1-8-4-5-9(2)12-11(8)10(13-3)6-7-16(12,14)15/h4-5,10,13H,6-7H2,1-3H3
InChIKeyVKOJZKWRBPIRFN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.74
Rot. Bonds1

About N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539056) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539056
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1CCS(=O)(=O)c2c(C)ccc(C)c21
InChIInChI=1S/C12H17NO2S/c1-8-4-5-9(2)12-11(8)10(13-3)6-7-16(12,14)15/h4-5,10,13H,6-7H2,1-3H3
InChIKeyVKOJZKWRBPIRFN-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 43539056) is N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is CNC1CCS(=O)(=O)c2c(C)ccc(C)c21.
What is the InChIKey of N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is VKOJZKWRBPIRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-4-5-9(2)12-11(8)10(13-3)6-7-16(12,14)15/h4-5,10,13H,6-7H2,1-3H3.
What are the key properties of N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 239.34 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).