3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide

C13H18N2S — CID 82116491

IUPAC3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide
SMILESCC(C)(CN1CCc2ccccc21)C(N)=S
InChIInChI=1S/C13H18N2S/c1-13(2,12(14)16)9-15-8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H2,14,16)
InChIKeyBNYLUIFDSWEGCT-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.36
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide

3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide (PubChem CID 82116491) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide
PubChem CID82116491
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide
SMILESCC(C)(CN1CCc2ccccc21)C(N)=S
InChIInChI=1S/C13H18N2S/c1-13(2,12(14)16)9-15-8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H2,14,16)
InChIKeyBNYLUIFDSWEGCT-UHFFFAOYSA-N
XLogP2.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylbutyl)-2,3-dihydroindole
CID 167187652
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal
CID 62277118
1-(2,3-dihydroindol-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62834088
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 16790029
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 65249399
2-(2,3-dihydroindol-1-ylmethyl)-N,2-dimethylbutan-1-amine
CID 62262026
4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide
CID 103495730
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide (CID 82116491) is 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide is CC(C)(CN1CCc2ccccc21)C(N)=S.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide?
The InChIKey is BNYLUIFDSWEGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-13(2,12(14)16)9-15-8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H2,14,16).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide?
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide has a molecular weight of 234.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide is sourced from PubChem (CID 82116491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).