3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one

C12H16N2O2S — CID 112661697

IUPAC3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one
SMILESCSCCN(C)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C12H16N2O2S/c1-14(5-6-17-2)8-3-4-9-10(7-8)13-12(16)11(9)15/h3-4,7,11,15H,5-6H2,1-2H3,(H,13,16)
InChIKeyTYLVLNOXCBEHJQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.47
Rot. Bonds4

About 3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one

3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 112661697) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one
PubChem CID112661697
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one
SMILESCSCCN(C)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C12H16N2O2S/c1-14(5-6-17-2)8-3-4-9-10(7-8)13-12(16)11(9)15/h3-4,7,11,15H,5-6H2,1-2H3,(H,13,16)
InChIKeyTYLVLNOXCBEHJQ-UHFFFAOYSA-N
XLogP1.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
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

3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 63007655
6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586692
3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one
CID 43586724
6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586683
6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 55010245
6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586583
3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 114230298
6-(N-ethyl-3-methylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 61075160
3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 107481112
6-butylsulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 63835750
3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one
CID 55239839
3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 63814020

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one (CID 112661697) is 3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one is CSCCN(C)c1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is TYLVLNOXCBEHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-14(5-6-17-2)8-3-4-9-10(7-8)13-12(16)11(9)15/h3-4,7,11,15H,5-6H2,1-2H3,(H,13,16).
What are the key properties of 3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one?
3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 252.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 112661697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).