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

C20H26N4S — CID 155774152

IUPAC(1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCC(C)Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cn1
InChIInChI=1S/C20H26N4S/c1-14(2)25-18-13-22-17(12-23-18)24-9-7-20(8-10-24)11-15-5-3-4-6-16(15)19(20)21/h3-6,12-14,19H,7-11,21H2,1-2H3/t19-/m1/s1
InChIKeySNBZRIQFKOCCTJ-LJQANCHMSA-N
MW354.52 g/mol
LogP3.82
Rot. Bonds3

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

(1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155774152) has the molecular formula C20H26N4S and a molecular weight of 354.52 g/mol. Its IUPAC name is (1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155774152
Molecular FormulaC20H26N4S
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Name(1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCC(C)Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cn1
InChIInChI=1S/C20H26N4S/c1-14(2)25-18-13-22-17(12-23-18)24-9-7-20(8-10-24)11-15-5-3-4-6-16(15)19(20)21/h3-6,12-14,19H,7-11,21H2,1-2H3/t19-/m1/s1
InChIKeySNBZRIQFKOCCTJ-LJQANCHMSA-N
XLogP3.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155774152) is (1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is CC(C)Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cn1.
What is the InChIKey of (1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is SNBZRIQFKOCCTJ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N4S/c1-14(2)25-18-13-22-17(12-23-18)24-9-7-20(8-10-24)11-15-5-3-4-6-16(15)19(20)21/h3-6,12-14,19H,7-11,21H2,1-2H3/t19-/m1/s1.
What are the key properties of (1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 354.52 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(5-propan-2-ylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155774152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).