1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one

C15H16N2OS — CID 43485165

IUPAC1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one
SMILESCNC(c1ccsc1)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C15H16N2OS/c1-16-15(11-5-6-19-9-11)10-3-4-13-12(7-10)8-14(18)17(13)2/h3-7,9,15-16H,8H2,1-2H3
InChIKeyXOHDQZXVVZVAPW-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.58
Rot. Bonds3

About 1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one

1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one (PubChem CID 43485165) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one
PubChem CID43485165
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one
SMILESCNC(c1ccsc1)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C15H16N2OS/c1-16-15(11-5-6-19-9-11)10-3-4-13-12(7-10)8-14(18)17(13)2/h3-7,9,15-16H,8H2,1-2H3
InChIKeyXOHDQZXVVZVAPW-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
CID 43485198
5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
CID 107960668
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116847020
5-[ethylamino-(5-iodothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 79691115
5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 79809471
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
5-(1-bromo-2,2,2-trifluoroethyl)-1-methyl-3H-indol-2-one
CID 61097937
1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one
CID 43485221
5-(1-bromo-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61098137

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one (CID 43485165) is 1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one is CNC(c1ccsc1)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one?
The InChIKey is XOHDQZXVVZVAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-16-15(11-5-6-19-9-11)10-3-4-13-12(7-10)8-14(18)17(13)2/h3-7,9,15-16H,8H2,1-2H3.
What are the key properties of 1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one?
1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one has a molecular weight of 272.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43485165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).