2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole

C15H19NS — CID 63927497

IUPAC2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole
SMILESCc1cn(CCSc2ccccc2)c(C)c1C
InChIInChI=1S/C15H19NS/c1-12-11-16(14(3)13(12)2)9-10-17-15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3
InChIKeyOZSUHWAORPJHQZ-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.21
Rot. Bonds4

About 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole

2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole (PubChem CID 63927497) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole.

Molecular Properties

Compound Name2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole
PubChem CID63927497
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole
SMILESCc1cn(CCSc2ccccc2)c(C)c1C
InChIInChI=1S/C15H19NS/c1-12-11-16(14(3)13(12)2)9-10-17-15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3
InChIKeyOZSUHWAORPJHQZ-UHFFFAOYSA-N
XLogP4.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole 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

5-bromo-3-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one
CID 83133300
1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one
CID 80581990
4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
CID 18723211
1,2-dimethyl-4-(2-phenylsulfanylethylsulfanyl)benzene
CID 79326651
1-(2-phenylsulfanylethyl)indole-3-carbaldehyde
CID 79227626
5-bromo-1-(2-phenylsulfanylethyl)pyrimidine-2,4-dione
CID 63778535
1-[3,5-dimethyl-1-(2-phenylsulfanylethyl)pyrazol-4-yl]ethanamine
CID 79228688
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine
CID 79227337
1-(2-phenylsulfanylethyl)-4-(trifluoromethyl)pyrazole
CID 79349118
1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
CID 79315398
ethane;2-phenylsulfanylethanethiol
CID 142910826
1-(2-phenylsulfanylethyl)pyrrolidine-3,4-diol
CID 106672594

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole?
The IUPAC name of 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole (CID 63927497) is 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole.
What is the SMILES notation for 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole?
The canonical SMILES for 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole is Cc1cn(CCSc2ccccc2)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole?
The InChIKey is OZSUHWAORPJHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12-11-16(14(3)13(12)2)9-10-17-15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole?
2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole has a molecular weight of 245.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole is sourced from PubChem (CID 63927497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).