[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol

C22H28N4OS — CID 139524369

IUPAC[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(SCC3CC3)nc1CO)CC2
InChIInChI=1S/C22H28N4OS/c23-20-17-4-2-1-3-16(17)11-22(20)7-9-26(10-8-22)21-18(13-27)25-19(12-24-21)28-14-15-5-6-15/h1-4,12,15,20,27H,5-11,13-14,23H2/t20-/m1/s1
InChIKeyLLZMAALELIXJMN-HXUWFJFHSA-N
MW396.56 g/mol
LogP3.31
Rot. Bonds5

About [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol

[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol (PubChem CID 139524369) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol
PubChem CID139524369
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(SCC3CC3)nc1CO)CC2
InChIInChI=1S/C22H28N4OS/c23-20-17-4-2-1-3-16(17)11-22(20)7-9-26(10-8-22)21-18(13-27)25-19(12-24-21)28-14-15-5-6-15/h1-4,12,15,20,27H,5-11,13-14,23H2/t20-/m1/s1
InChIKeyLLZMAALELIXJMN-HXUWFJFHSA-N
XLogP3.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol 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 [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol?
The IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol (CID 139524369) is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol?
The canonical SMILES for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol is N[C@@H]1c2ccccc2CC12CCN(c1ncc(SCC3CC3)nc1CO)CC2.
What is the InChIKey of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol?
The InChIKey is LLZMAALELIXJMN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4OS/c23-20-17-4-2-1-3-16(17)11-22(20)7-9-26(10-8-22)21-18(13-27)25-19(12-24-21)28-14-15-5-6-15/h1-4,12,15,20,27H,5-11,13-14,23H2/t20-/m1/s1.
What are the key properties of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol?
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol has a molecular weight of 396.56 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(cyclopropylmethylsulfanyl)pyrazin-2-yl]methanol is sourced from PubChem (CID 139524369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).