3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one

C15H22N2O2S — CID 115986200

IUPAC3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one
SMILESCCC(CSC)N(C)c1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C15H22N2O2S/c1-5-10(9-20-4)16(2)11-6-7-12-13(8-11)17(3)15(19)14(12)18/h6-8,10,14,18H,5,9H2,1-4H3
InChIKeyGIOQQDQWTJGHJL-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.27
Rot. Bonds5

About 3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one

3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one (PubChem CID 115986200) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one
PubChem CID115986200
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one
SMILESCCC(CSC)N(C)c1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C15H22N2O2S/c1-5-10(9-20-4)16(2)11-6-7-12-13(8-11)17(3)15(19)14(12)18/h6-8,10,14,18H,5,9H2,1-4H3
InChIKeyGIOQQDQWTJGHJL-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81309591
6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81301771
3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one
CID 81300300
6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one
CID 81301480
2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide
CID 81301637
3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one
CID 81309082
[2-methyl-4-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]methanol
CID 112661769
6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81301777
6-(2,3-dihydroxypropylsulfanyl)-3-hydroxy-1-methyl-3H-indol-2-one
CID 81309531
(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one
CID 124705861
1-[4-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanol
CID 112661746
1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione
CID 81309049

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one (CID 115986200) is 3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one is CCC(CSC)N(C)c1ccc2c(c1)N(C)C(=O)C2O.
What is the InChIKey of 3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one?
The InChIKey is GIOQQDQWTJGHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-10(9-20-4)16(2)11-6-7-12-13(8-11)17(3)15(19)14(12)18/h6-8,10,14,18H,5,9H2,1-4H3.
What are the key properties of 3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one?
3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one has a molecular weight of 294.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3H-indol-2-one is sourced from PubChem (CID 115986200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).