N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine

C21H26N2S — CID 11024241

IUPACN,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
SMILESCSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2
InChIInChI=1S/C21H26N2S/c1-15(20-7-5-6-11-22-20)21-17(10-12-23(2)3)13-16-8-9-18(24-4)14-19(16)21/h5-9,11,14-15H,10,12-13H2,1-4H3
InChIKeySOZIYETWMOLCLB-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.87
Rot. Bonds6

About N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine

N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine (PubChem CID 11024241) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
PubChem CID11024241
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC NameN,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
SMILESCSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2
InChIInChI=1S/C21H26N2S/c1-15(20-7-5-6-11-22-20)21-17(10-12-23(2)3)13-16-8-9-18(24-4)14-19(16)21/h5-9,11,14-15H,10,12-13H2,1-4H3
InChIKeySOZIYETWMOLCLB-UHFFFAOYSA-N
XLogP4.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine (CID 11024241) is N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine is CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2.
What is the InChIKey of N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
The InChIKey is SOZIYETWMOLCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S/c1-15(20-7-5-6-11-22-20)21-17(10-12-23(2)3)13-16-8-9-18(24-4)14-19(16)21/h5-9,11,14-15H,10,12-13H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine has a molecular weight of 338.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-methylsulfanyl-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 11024241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).