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

C20H24N4S — CID 150748619

IUPAC(1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CC3)cn1)CC2
InChIInChI=1S/C20H24N4S/c21-19-16-4-2-1-3-14(16)11-20(19)7-9-24(10-8-20)17-12-23-18(13-22-17)25-15-5-6-15/h1-4,12-13,15,19H,5-11,21H2/t19-/m1/s1
InChIKeyJVJOEQRDPRRCAE-LJQANCHMSA-N
MW352.51 g/mol
LogP3.57
Rot. Bonds3

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

(1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 150748619) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is (1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID150748619
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name(1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CC3)cn1)CC2
InChIInChI=1S/C20H24N4S/c21-19-16-4-2-1-3-14(16)11-20(19)7-9-24(10-8-20)17-12-23-18(13-22-17)25-15-5-6-15/h1-4,12-13,15,19H,5-11,21H2/t19-/m1/s1
InChIKeyJVJOEQRDPRRCAE-LJQANCHMSA-N
XLogP3.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 150748619) is (1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cnc(SC3CC3)cn1)CC2.
What is the InChIKey of (1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is JVJOEQRDPRRCAE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N4S/c21-19-16-4-2-1-3-14(16)11-20(19)7-9-24(10-8-20)17-12-23-18(13-22-17)25-15-5-6-15/h1-4,12-13,15,19H,5-11,21H2/t19-/m1/s1.
What are the key properties of (1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 352.51 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(5-cyclopropylsulfanylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 150748619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).