2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride

C21H25ClN2S — CID 18968740

IUPAC2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride
SMILESCc1c(Sc2ccccc2)c2ccccc2n1CC1CCCN1C.Cl
InChIInChI=1S/C21H24N2S.ClH/c1-16-21(24-18-10-4-3-5-11-18)19-12-6-7-13-20(19)23(16)15-17-9-8-14-22(17)2;/h3-7,10-13,17H,8-9,14-15H2,1-2H3;1H
InChIKeyKNXJWSCAPPEJLJ-UHFFFAOYSA-N
MW372.97 g/mol
LogP5.62
Rot. Bonds4

About 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride

2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride (PubChem CID 18968740) has the molecular formula C21H25ClN2S and a molecular weight of 372.97 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride
PubChem CID18968740
Molecular FormulaC21H25ClN2S
Molecular Weight372.97 g/mol
Exact Mass372.14
IUPAC Name2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride
SMILESCc1c(Sc2ccccc2)c2ccccc2n1CC1CCCN1C.Cl
InChIInChI=1S/C21H24N2S.ClH/c1-16-21(24-18-10-4-3-5-11-18)19-12-6-7-13-20(19)23(16)15-17-9-8-14-22(17)2;/h3-7,10-13,17H,8-9,14-15H2,1-2H3;1H
InChIKeyKNXJWSCAPPEJLJ-UHFFFAOYSA-N
XLogP5.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.97
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride?
The IUPAC name of 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride (CID 18968740) is 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride.
What is the SMILES notation for 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride?
The canonical SMILES for 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride is Cc1c(Sc2ccccc2)c2ccccc2n1CC1CCCN1C.Cl.
What is the InChIKey of 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride?
The InChIKey is KNXJWSCAPPEJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2S.ClH/c1-16-21(24-18-10-4-3-5-11-18)19-12-6-7-13-20(19)23(16)15-17-9-8-14-22(17)2;/h3-7,10-13,17H,8-9,14-15H2,1-2H3;1H.
What are the key properties of 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride?
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride has a molecular weight of 372.97 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride is sourced from PubChem (CID 18968740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).