(1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C19H24N4S — CID 155774343

IUPAC(1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCCSc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cn1
InChIInChI=1S/C19H24N4S/c1-2-24-17-13-21-16(12-22-17)23-9-7-19(8-10-23)11-14-5-3-4-6-15(14)18(19)20/h3-6,12-13,18H,2,7-11,20H2,1H3/t18-/m1/s1
InChIKeyZLLPRUOMJYGGBL-GOSISDBHSA-N
MW340.50 g/mol
LogP3.43
Rot. Bonds3

About (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155774343) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155774343
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name(1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCCSc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cn1
InChIInChI=1S/C19H24N4S/c1-2-24-17-13-21-16(12-22-17)23-9-7-19(8-10-23)11-14-5-3-4-6-15(14)18(19)20/h3-6,12-13,18H,2,7-11,20H2,1H3/t18-/m1/s1
InChIKeyZLLPRUOMJYGGBL-GOSISDBHSA-N
XLogP3.43
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine 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 (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155774343) is (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is CCSc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cn1.
What is the InChIKey of (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is ZLLPRUOMJYGGBL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4S/c1-2-24-17-13-21-16(12-22-17)23-9-7-19(8-10-23)11-14-5-3-4-6-15(14)18(19)20/h3-6,12-13,18H,2,7-11,20H2,1H3/t18-/m1/s1.
What are the key properties of (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 340.50 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(5-ethylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155774343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).