1-methyl-3-phenylsulfanylindole

C15H13NS — CID 11253433

IUPAC1-methyl-3-phenylsulfanylindole
SMILESCn1cc(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C15H13NS/c1-16-11-15(13-9-5-6-10-14(13)16)17-12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyVUMAOSLVZGFDAT-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.33
Rot. Bonds2

About 1-methyl-3-phenylsulfanylindole

1-methyl-3-phenylsulfanylindole (PubChem CID 11253433) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-methyl-3-phenylsulfanylindole.

Molecular Properties

Compound Name1-methyl-3-phenylsulfanylindole
PubChem CID11253433
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name1-methyl-3-phenylsulfanylindole
SMILESCn1cc(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C15H13NS/c1-16-11-15(13-9-5-6-10-14(13)16)17-12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyVUMAOSLVZGFDAT-UHFFFAOYSA-N
XLogP4.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-phenylsulfanylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-2-phenylindole
CID 77095
1-Methylindole
CID 11781
1-Phenyl-1H-indole
CID 182029
1-(Phenylsulfonyl)-1H-indole
CID 315017
2-[[1-(Phenylmethyl)-1H-indol-3-yl]thio]acetic acid
CID 563550
1-methyl-N,N-dimethyltryptamine
CID 25927
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
3-(phenylsulfonyl)-1-(pyrrolidin-3-yl)-1H-indole
CID 9840311
2-(3-(phenylsulfonyl)-1H-indol-1-yl)ethanamine
CID 10017687
3-(phenylsulfonyl)-1-(piperidin-3-yl)-1H-indole
CID 10042892

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylsulfanylindole?
The IUPAC name of 1-methyl-3-phenylsulfanylindole (CID 11253433) is 1-methyl-3-phenylsulfanylindole.
What is the SMILES notation for 1-methyl-3-phenylsulfanylindole?
The canonical SMILES for 1-methyl-3-phenylsulfanylindole is Cn1cc(Sc2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-phenylsulfanylindole?
The InChIKey is VUMAOSLVZGFDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-16-11-15(13-9-5-6-10-14(13)16)17-12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 1-methyl-3-phenylsulfanylindole?
1-methyl-3-phenylsulfanylindole has a molecular weight of 239.34 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylsulfanylindole is sourced from PubChem (CID 11253433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).