3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one

C13H18ClN3OS — CID 112660628

IUPAC3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCSCC(C)N(C)c1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C13H18ClN3OS/c1-7(6-19-3)17(2)11-5-10-8(4-9(11)14)12(15)13(18)16-10/h4-5,7,12H,6,15H2,1-3H3,(H,16,18)
InChIKeyAJGJYZMSMAMVIT-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.48
Rot. Bonds4

About 3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one

3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 112660628) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one
PubChem CID112660628
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCSCC(C)N(C)c1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C13H18ClN3OS/c1-7(6-19-3)17(2)11-5-10-8(4-9(11)14)12(15)13(18)16-10/h4-5,7,12H,6,15H2,1-3H3,(H,16,18)
InChIKeyAJGJYZMSMAMVIT-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one (CID 112660628) is 3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one is CSCC(C)N(C)c1cc2c(cc1Cl)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is AJGJYZMSMAMVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-7(6-19-3)17(2)11-5-10-8(4-9(11)14)12(15)13(18)16-10/h4-5,7,12H,6,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 299.83 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 112660628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).