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

C23H30N4S — CID 149410525

IUPAC(1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CCCCC3)cn1)CC2
InChIInChI=1S/C23H30N4S/c24-22-19-9-5-4-6-17(19)14-23(22)10-12-27(13-11-23)20-15-26-21(16-25-20)28-18-7-2-1-3-8-18/h4-6,9,15-16,18,22H,1-3,7-8,10-14,24H2/t22-/m1/s1
InChIKeyYRDUXPWSEXGPNU-JOCHJYFZSA-N
MW394.59 g/mol
LogP4.74
Rot. Bonds3

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

(1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 149410525) has the molecular formula C23H30N4S and a molecular weight of 394.59 g/mol. Its IUPAC name is (1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID149410525
Molecular FormulaC23H30N4S
Molecular Weight394.59 g/mol
Exact Mass394.22
IUPAC Name(1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CCCCC3)cn1)CC2
InChIInChI=1S/C23H30N4S/c24-22-19-9-5-4-6-17(19)14-23(22)10-12-27(13-11-23)20-15-26-21(16-25-20)28-18-7-2-1-3-8-18/h4-6,9,15-16,18,22H,1-3,7-8,10-14,24H2/t22-/m1/s1
InChIKeyYRDUXPWSEXGPNU-JOCHJYFZSA-N
XLogP4.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1'-(5-cyclohexylsulfanylpyrazin-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-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 149410525) is (1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CCCCC3)cn1)CC2.
What is the InChIKey of (1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is YRDUXPWSEXGPNU-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N4S/c24-22-19-9-5-4-6-17(19)14-23(22)10-12-27(13-11-23)20-15-26-21(16-25-20)28-18-7-2-1-3-8-18/h4-6,9,15-16,18,22H,1-3,7-8,10-14,24H2/t22-/m1/s1.
What are the key properties of (1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 394.59 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(5-cyclohexylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 149410525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).