1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide

C15H17FN2OS — CID 103495613

IUPAC1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide
SMILESCC1CC(C(=O)N2CCc3ccc(F)cc32)(C(N)=S)C1
InChIInChI=1S/C15H17FN2OS/c1-9-7-15(8-9,13(17)20)14(19)18-5-4-10-2-3-11(16)6-12(10)18/h2-3,6,9H,4-5,7-8H2,1H3,(H2,17,20)
InChIKeyFYEOPXKXOCPLTM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.42
Rot. Bonds2

About 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide

1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide (PubChem CID 103495613) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide
PubChem CID103495613
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide
SMILESCC1CC(C(=O)N2CCc3ccc(F)cc32)(C(N)=S)C1
InChIInChI=1S/C15H17FN2OS/c1-9-7-15(8-9,13(17)20)14(19)18-5-4-10-2-3-11(16)6-12(10)18/h2-3,6,9H,4-5,7-8H2,1H3,(H2,17,20)
InChIKeyFYEOPXKXOCPLTM-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.42
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-(aminomethyl)-4-methylcyclohexyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495287
3-methyl-1-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carbothioamide
CID 80591610
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-2-methylbutanethioamide
CID 103495616
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
(6-fluoro-2,3-dihydroindol-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 103494882
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
CID 103953312
(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 103822175
N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
CID 103496998

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide?
The IUPAC name of 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide (CID 103495613) is 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide?
The canonical SMILES for 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide is CC1CC(C(=O)N2CCc3ccc(F)cc32)(C(N)=S)C1.
What is the InChIKey of 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide?
The InChIKey is FYEOPXKXOCPLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-9-7-15(8-9,13(17)20)14(19)18-5-4-10-2-3-11(16)6-12(10)18/h2-3,6,9H,4-5,7-8H2,1H3,(H2,17,20).
What are the key properties of 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide?
1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide has a molecular weight of 292.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide is sourced from PubChem (CID 103495613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).