5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one

C14H20N2OS — CID 115225243

IUPAC5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
SMILESCNCCc1ccc2c(c1)CC(=O)N2CCCS
InChIInChI=1S/C14H20N2OS/c1-15-6-5-11-3-4-13-12(9-11)10-14(17)16(13)7-2-8-18/h3-4,9,15,18H,2,5-8,10H2,1H3
InChIKeyIIPIGGIPKNNBJI-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.66
Rot. Bonds6

About 5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one

5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one (PubChem CID 115225243) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
PubChem CID115225243
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
SMILESCNCCc1ccc2c(c1)CC(=O)N2CCCS
InChIInChI=1S/C14H20N2OS/c1-15-6-5-11-3-4-13-12(9-11)10-14(17)16(13)7-2-8-18/h3-4,9,15,18H,2,5-8,10H2,1H3
InChIKeyIIPIGGIPKNNBJI-UHFFFAOYSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
CID 115231217
1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115206096
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115136265
1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115197456
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide
CID 110788593
5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one
CID 115217029

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one?
The IUPAC name of 5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one (CID 115225243) is 5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one?
The canonical SMILES for 5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one is CNCCc1ccc2c(c1)CC(=O)N2CCCS.
What is the InChIKey of 5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one?
The InChIKey is IIPIGGIPKNNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-15-6-5-11-3-4-13-12(9-11)10-14(17)16(13)7-2-8-18/h3-4,9,15,18H,2,5-8,10H2,1H3.
What are the key properties of 5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one?
5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one has a molecular weight of 264.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one is sourced from PubChem (CID 115225243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).