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

C22H28N4S — CID 155774126

IUPAC(1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CCCC3)cn1)CC2
InChIInChI=1S/C22H28N4S/c23-21-18-8-4-1-5-16(18)13-22(21)9-11-26(12-10-22)19-14-25-20(15-24-19)27-17-6-2-3-7-17/h1,4-5,8,14-15,17,21H,2-3,6-7,9-13,23H2/t21-/m1/s1
InChIKeyWVAIIGGGCLCQOB-OAQYLSRUSA-N
MW380.56 g/mol
LogP4.35
Rot. Bonds3

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

(1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155774126) has the molecular formula C22H28N4S and a molecular weight of 380.56 g/mol. Its IUPAC name is (1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155774126
Molecular FormulaC22H28N4S
Molecular Weight380.56 g/mol
Exact Mass380.20
IUPAC Name(1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CCCC3)cn1)CC2
InChIInChI=1S/C22H28N4S/c23-21-18-8-4-1-5-16(18)13-22(21)9-11-26(12-10-22)19-14-25-20(15-24-19)27-17-6-2-3-7-17/h1,4-5,8,14-15,17,21H,2-3,6-7,9-13,23H2/t21-/m1/s1
InChIKeyWVAIIGGGCLCQOB-OAQYLSRUSA-N
XLogP4.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155774126) is (1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CCCC3)cn1)CC2.
What is the InChIKey of (1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is WVAIIGGGCLCQOB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N4S/c23-21-18-8-4-1-5-16(18)13-22(21)9-11-26(12-10-22)19-14-25-20(15-24-19)27-17-6-2-3-7-17/h1,4-5,8,14-15,17,21H,2-3,6-7,9-13,23H2/t21-/m1/s1.
What are the key properties of (1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 380.56 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(5-cyclopentylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155774126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).