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

C25H28N4S — CID 150837380

IUPAC(1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SCCc3ccccc3)cn1)CC2
InChIInChI=1S/C25H28N4S/c26-24-21-9-5-4-8-20(21)16-25(24)11-13-29(14-12-25)22-17-28-23(18-27-22)30-15-10-19-6-2-1-3-7-19/h1-9,17-18,24H,10-16,26H2/t24-/m1/s1
InChIKeyKNGNTBSSZOLQFV-XMMPIXPASA-N
MW416.59 g/mol
LogP4.65
Rot. Bonds5

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

(1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 150837380) has the molecular formula C25H28N4S and a molecular weight of 416.59 g/mol. Its IUPAC name is (1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID150837380
Molecular FormulaC25H28N4S
Molecular Weight416.59 g/mol
Exact Mass416.20
IUPAC Name(1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SCCc3ccccc3)cn1)CC2
InChIInChI=1S/C25H28N4S/c26-24-21-9-5-4-8-20(21)16-25(24)11-13-29(14-12-25)22-17-28-23(18-27-22)30-15-10-19-6-2-1-3-7-19/h1-9,17-18,24H,10-16,26H2/t24-/m1/s1
InChIKeyKNGNTBSSZOLQFV-XMMPIXPASA-N
XLogP4.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 150837380) is (1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cnc(SCCc3ccccc3)cn1)CC2.
What is the InChIKey of (1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is KNGNTBSSZOLQFV-XMMPIXPASA-N. The full InChI is InChI=1S/C25H28N4S/c26-24-21-9-5-4-8-20(21)16-25(24)11-13-29(14-12-25)22-17-28-23(18-27-22)30-15-10-19-6-2-1-3-7-19/h1-9,17-18,24H,10-16,26H2/t24-/m1/s1.
What are the key properties of (1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 416.59 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-(2-phenylethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 150837380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).