3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole

C20H20N2S — CID 138983603

IUPAC3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole
SMILESCc1ccc2c(c1)c(Sc1cn(C)c3ccc(C)cc13)cn2C
InChIInChI=1S/C20H20N2S/c1-13-5-7-17-15(9-13)19(11-21(17)3)23-20-12-22(4)18-8-6-14(2)10-16(18)20/h5-12H,1-4H3
InChIKeyJBMDVCRNDFHFNS-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.44
Rot. Bonds2

About 3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole

3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole (PubChem CID 138983603) has the molecular formula C20H20N2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole.

Molecular Properties

Compound Name3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole
PubChem CID138983603
Molecular FormulaC20H20N2S
Molecular Weight320.46 g/mol
Exact Mass320.13
IUPAC Name3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole
SMILESCc1ccc2c(c1)c(Sc1cn(C)c3ccc(C)cc13)cn2C
InChIInChI=1S/C20H20N2S/c1-13-5-7-17-15(9-13)19(11-21(17)3)23-20-12-22(4)18-8-6-14(2)10-16(18)20/h5-12H,1-4H3
InChIKeyJBMDVCRNDFHFNS-UHFFFAOYSA-N
XLogP5.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethylindole-3-carbaldehyde
CID 1419073
(1,5-dimethylindol-3-yl)-trimethylsilane
CID 177415171
3-dimethylphosphoryl-1,5-dimethylindole
CID 170792902
1,5-dimethylindole-3-carboxamide
CID 119084556
ethane;3-fluoro-1,5-dimethylindole;propane
CID 176703204
N,1,5-trimethylindole-3-carboxamide
CID 25149961
2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one
CID 168925957
1,5-dimethyl-3-(oxan-4-yl)indole
CID 170793056
3-(2-isocyanoethyl)-1,5-dimethylindole
CID 83485144
cyclopropyl-(1,5-dimethylindol-3-yl)methanone
CID 82278819
3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674926

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole?
The IUPAC name of 3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole (CID 138983603) is 3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole.
What is the SMILES notation for 3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole?
The canonical SMILES for 3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole is Cc1ccc2c(c1)c(Sc1cn(C)c3ccc(C)cc13)cn2C.
What is the InChIKey of 3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole?
The InChIKey is JBMDVCRNDFHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2S/c1-13-5-7-17-15(9-13)19(11-21(17)3)23-20-12-22(4)18-8-6-14(2)10-16(18)20/h5-12H,1-4H3.
What are the key properties of 3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole?
3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole has a molecular weight of 320.46 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole is sourced from PubChem (CID 138983603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).