8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine

C13H19NOS — CID 82886640

IUPAC8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine
SMILESCNC1c2cccc(OC)c2CSC1(C)C
InChIInChI=1S/C13H19NOS/c1-13(2)12(14-3)9-6-5-7-11(15-4)10(9)8-16-13/h5-7,12,14H,8H2,1-4H3
InChIKeyFIYASRBHQGBHGD-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.98
Rot. Bonds2

About 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine

8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine (PubChem CID 82886640) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine.

Molecular Properties

Compound Name8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine
PubChem CID82886640
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine
SMILESCNC1c2cccc(OC)c2CSC1(C)C
InChIInChI=1S/C13H19NOS/c1-13(2)12(14-3)9-6-5-7-11(15-4)10(9)8-16-13/h5-7,12,14H,8H2,1-4H3
InChIKeyFIYASRBHQGBHGD-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-3,3-dimethyl-N-propyl-1,4-dihydroisothiochromen-4-amine
CID 82887047
N-ethyl-5-fluoro-8-methoxy-3,3-dimethyl-1,4-dihydroisothiochromen-4-amine
CID 82886185
8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356806
8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
CID 82887429
8-bromo-3,3-dimethyl-N-propyl-1,4-dihydroisothiochromen-4-amine
CID 82887049
8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886324
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 10774628
3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356722
8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61292064
8-fluoro-3,3-dimethyl-1,4-dihydroisothiochromen-4-ol
CID 82885868
8-methoxy-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84620678
8-methoxy-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356884

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine?
The IUPAC name of 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine (CID 82886640) is 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine.
What is the SMILES notation for 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine?
The canonical SMILES for 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine is CNC1c2cccc(OC)c2CSC1(C)C.
What is the InChIKey of 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine?
The InChIKey is FIYASRBHQGBHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2)12(14-3)9-6-5-7-11(15-4)10(9)8-16-13/h5-7,12,14H,8H2,1-4H3.
What are the key properties of 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine?
8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine has a molecular weight of 237.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine is sourced from PubChem (CID 82886640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).