5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one

C16H18N2OS — CID 65237224

IUPAC5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2)c1cc(C)c(C)s1
InChIInChI=1S/C16H18N2OS/c1-9-6-14(20-10(9)2)16(17-3)11-4-5-13-12(7-11)8-15(19)18-13/h4-7,16-17H,8H2,1-3H3,(H,18,19)
InChIKeyAEQQSIMKAPHQSC-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.17
Rot. Bonds3

About 5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one

5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one (PubChem CID 65237224) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
PubChem CID65237224
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2)c1cc(C)c(C)s1
InChIInChI=1S/C16H18N2OS/c1-9-6-14(20-10(9)2)16(17-3)11-4-5-13-12(7-11)8-15(19)18-13/h4-7,16-17H,8H2,1-3H3,(H,18,19)
InChIKeyAEQQSIMKAPHQSC-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[bromo-(4,5-dimethylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 65238601
6-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 65237500
5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65151696
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803
5-[furan-3-yl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484758
5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484817
7-[(4,5-dimethylthiophen-2-yl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 65238894
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116953331

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one (CID 65237224) is 5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one is CNC(c1ccc2c(c1)CC(=O)N2)c1cc(C)c(C)s1.
What is the InChIKey of 5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The InChIKey is AEQQSIMKAPHQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-9-6-14(20-10(9)2)16(17-3)11-4-5-13-12(7-11)8-15(19)18-13/h4-7,16-17H,8H2,1-3H3,(H,18,19).
What are the key properties of 5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one has a molecular weight of 286.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 65237224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).