4-(1,3-dithian-2-yl)-1-methylindole

C13H15NS2 — CID 134981351

IUPAC4-(1,3-dithian-2-yl)-1-methylindole
SMILESCn1ccc2c(C3SCCCS3)cccc21
InChIInChI=1S/C13H15NS2/c1-14-7-6-10-11(4-2-5-12(10)14)13-15-8-3-9-16-13/h2,4-7,13H,3,8-9H2,1H3
InChIKeyWVLSTXRBNBJEGB-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.05
Rot. Bonds1

About 4-(1,3-dithian-2-yl)-1-methylindole

4-(1,3-dithian-2-yl)-1-methylindole (PubChem CID 134981351) has the molecular formula C13H15NS2 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-1-methylindole.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-1-methylindole
PubChem CID134981351
Molecular FormulaC13H15NS2
Molecular Weight249.40 g/mol
Exact Mass249.06
IUPAC Name4-(1,3-dithian-2-yl)-1-methylindole
SMILESCn1ccc2c(C3SCCCS3)cccc21
InChIInChI=1S/C13H15NS2/c1-14-7-6-10-11(4-2-5-12(10)14)13-15-8-3-9-16-13/h2,4-7,13H,3,8-9H2,1H3
InChIKeyWVLSTXRBNBJEGB-UHFFFAOYSA-N
XLogP4.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylaminomethylidene)-5-(1-methylindol-4-yl)cyclohexane-1,3-dione
CID 146459301
N-cyclohexyl-1-methylindol-4-amine
CID 159436359
4-chloro-1-methylindole;ethane
CID 142062846
2-[2-(trifluoromethyl)phenyl]-1,3-dithiane
CID 162568251
1-(benzenesulfonyl)-3-(1,3-dithian-2-yl)indole
CID 15711202
1-methyl-4-propylindole
CID 59939717
1-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178
methyl N-[2-(1,3-dithian-2-yl)phenyl]carbamate
CID 121016199
(3aR,6aS)-2-N,2-N,5-N-trimethyl-5-N-[(1-methylindol-4-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine
CID 135116045
N-methyl-1-(1-methylindol-4-yl)ethanamine
CID 115106916
4-(2,2-dimethylpropyl)-1-methylindole
CID 69029951
bis(1-methylindol-4-yl)-diphenylphosphanium
CID 177284167

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-1-methylindole?
The IUPAC name of 4-(1,3-dithian-2-yl)-1-methylindole (CID 134981351) is 4-(1,3-dithian-2-yl)-1-methylindole.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-1-methylindole?
The canonical SMILES for 4-(1,3-dithian-2-yl)-1-methylindole is Cn1ccc2c(C3SCCCS3)cccc21.
What is the InChIKey of 4-(1,3-dithian-2-yl)-1-methylindole?
The InChIKey is WVLSTXRBNBJEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS2/c1-14-7-6-10-11(4-2-5-12(10)14)13-15-8-3-9-16-13/h2,4-7,13H,3,8-9H2,1H3.
What are the key properties of 4-(1,3-dithian-2-yl)-1-methylindole?
4-(1,3-dithian-2-yl)-1-methylindole has a molecular weight of 249.40 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-1-methylindole is sourced from PubChem (CID 134981351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).