(3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione

C10H12N2S — CID 143260160

IUPAC(3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione
SMILESC[C@@]1(N)NCc2ccccc2C1=S
InChIInChI=1S/C10H12N2S/c1-10(11)9(13)8-5-3-2-4-7(8)6-12-10/h2-5,12H,6,11H2,1H3/t10-/m1/s1
InChIKeyJCOIHPDFQTVDMH-SNVBAGLBSA-N
MW192.29 g/mol
LogP1.18
Rot. Bonds

About (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione

(3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione (PubChem CID 143260160) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione.

Molecular Properties

Compound Name(3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione
PubChem CID143260160
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name(3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione
SMILESC[C@@]1(N)NCc2ccccc2C1=S
InChIInChI=1S/C10H12N2S/c1-10(11)9(13)8-5-3-2-4-7(8)6-12-10/h2-5,12H,6,11H2,1H3/t10-/m1/s1
InChIKeyJCOIHPDFQTVDMH-SNVBAGLBSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione?
The IUPAC name of (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione (CID 143260160) is (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione.
What is the SMILES notation for (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione?
The canonical SMILES for (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione is C[C@@]1(N)NCc2ccccc2C1=S.
What is the InChIKey of (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione?
The InChIKey is JCOIHPDFQTVDMH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12N2S/c1-10(11)9(13)8-5-3-2-4-7(8)6-12-10/h2-5,12H,6,11H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione?
(3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione has a molecular weight of 192.29 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione is sourced from PubChem (CID 143260160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).