1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone

C12H16N2OS — CID 83213519

IUPAC1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)N1CCc2cc(C)c(N)cc21
InChIInChI=1S/C12H16N2OS/c1-8-5-9-3-4-14(12(15)7-16-2)11(9)6-10(8)13/h5-6H,3-4,7,13H2,1-2H3
InChIKeySBCCAITVTMGFFQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.83
Rot. Bonds2

About 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone

1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone (PubChem CID 83213519) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
PubChem CID83213519
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)N1CCc2cc(C)c(N)cc21
InChIInChI=1S/C12H16N2OS/c1-8-5-9-3-4-14(12(15)7-16-2)11(9)6-10(8)13/h5-6H,3-4,7,13H2,1-2H3
InChIKeySBCCAITVTMGFFQ-UHFFFAOYSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 83212360
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 83213346
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone
CID 83209308
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone
CID 83210065
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 83212443
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 83211587
2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)acetamide
CID 83213541
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 83212525
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 83210257
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 83210635
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 83213348

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone (CID 83213519) is 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone is CSCC(=O)N1CCc2cc(C)c(N)cc21.
What is the InChIKey of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone?
The InChIKey is SBCCAITVTMGFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-5-9-3-4-14(12(15)7-16-2)11(9)6-10(8)13/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone?
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone has a molecular weight of 236.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 83213519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).