5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole

C13H15NOS — CID 3588237

IUPAC5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole
SMILESCOc1cc(-c2ccccc2)c(SC)n1C
InChIInChI=1S/C13H15NOS/c1-14-12(15-2)9-11(13(14)16-3)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyKXIIGBGGMYFXMY-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.42
Rot. Bonds3

About 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole

5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole (PubChem CID 3588237) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole.

Molecular Properties

Compound Name5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole
PubChem CID3588237
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole
SMILESCOc1cc(-c2ccccc2)c(SC)n1C
InChIInChI=1S/C13H15NOS/c1-14-12(15-2)9-11(13(14)16-3)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyKXIIGBGGMYFXMY-UHFFFAOYSA-N
XLogP3.42
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole 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

2,7-dimethoxy-9-methyl-3,6-diphenylcarbazole
CID 143239757
3-but-1-ynyl-5-methoxy-1-methyl-2-methylsulfanylpyrrole
CID 11310322
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
2-methoxy-1,3-diphenylbenzene
CID 23524590
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one
CID 11486407
1-methyl-5-methylsulfanyl-4-phenylimidazole
CID 130256791
4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole
CID 153159520
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
(2-methylsulfanyl-1,4-diphenylpyrrol-3-yl)-phenylmethanone
CID 102140254
3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
CID 10959140
1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene
CID 157140153

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole?
The IUPAC name of 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole (CID 3588237) is 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole.
What is the SMILES notation for 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole?
The canonical SMILES for 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole is COc1cc(-c2ccccc2)c(SC)n1C.
What is the InChIKey of 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole?
The InChIKey is KXIIGBGGMYFXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-14-12(15-2)9-11(13(14)16-3)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole?
5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole has a molecular weight of 233.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2-methylsulfanyl-3-phenylpyrrole is sourced from PubChem (CID 3588237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).