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

C21H26N4S — CID 139512028

IUPAC(1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SCC3CC3)cn1)CC2
InChIInChI=1S/C21H26N4S/c22-20-17-4-2-1-3-16(17)11-21(20)7-9-25(10-8-21)18-12-24-19(13-23-18)26-14-15-5-6-15/h1-4,12-13,15,20H,5-11,14,22H2/t20-/m1/s1
InChIKeyNCQCQDYDNHYUQJ-HXUWFJFHSA-N
MW366.53 g/mol
LogP3.82
Rot. Bonds4

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

(1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 139512028) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is (1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID139512028
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name(1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SCC3CC3)cn1)CC2
InChIInChI=1S/C21H26N4S/c22-20-17-4-2-1-3-16(17)11-21(20)7-9-25(10-8-21)18-12-24-19(13-23-18)26-14-15-5-6-15/h1-4,12-13,15,20H,5-11,14,22H2/t20-/m1/s1
InChIKeyNCQCQDYDNHYUQJ-HXUWFJFHSA-N
XLogP3.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
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-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 139512028) is (1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cnc(SCC3CC3)cn1)CC2.
What is the InChIKey of (1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is NCQCQDYDNHYUQJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N4S/c22-20-17-4-2-1-3-16(17)11-21(20)7-9-25(10-8-21)18-12-24-19(13-23-18)26-14-15-5-6-15/h1-4,12-13,15,20H,5-11,14,22H2/t20-/m1/s1.
What are the key properties of (1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 366.53 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 139512028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).