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

C21H26N4S — CID 147878169

IUPAC(1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CCC3)cn1)CC2
InChIInChI=1S/C21H26N4S/c22-20-17-7-2-1-4-15(17)12-21(20)8-10-25(11-9-21)18-13-24-19(14-23-18)26-16-5-3-6-16/h1-2,4,7,13-14,16,20H,3,5-6,8-12,22H2/t20-/m1/s1
InChIKeyHZXNIBWISIIEBT-HXUWFJFHSA-N
MW366.53 g/mol
LogP3.96
Rot. Bonds3

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

(1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 147878169) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is (1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID147878169
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name(1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CCC3)cn1)CC2
InChIInChI=1S/C21H26N4S/c22-20-17-7-2-1-4-15(17)12-21(20)8-10-25(11-9-21)18-13-24-19(14-23-18)26-16-5-3-6-16/h1-2,4,7,13-14,16,20H,3,5-6,8-12,22H2/t20-/m1/s1
InChIKeyHZXNIBWISIIEBT-HXUWFJFHSA-N
XLogP3.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 147878169) is (1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CCC3)cn1)CC2.
What is the InChIKey of (1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is HZXNIBWISIIEBT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N4S/c22-20-17-7-2-1-4-15(17)12-21(20)8-10-25(11-9-21)18-13-24-19(14-23-18)26-16-5-3-6-16/h1-2,4,7,13-14,16,20H,3,5-6,8-12,22H2/t20-/m1/s1.
What are the key properties of (1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 366.53 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(5-cyclobutylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 147878169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).