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

C23H30N4S — CID 147066629

IUPAC(1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SCC3CCCC3)cn1)CC2
InChIInChI=1S/C23H30N4S/c24-22-19-8-4-3-7-18(19)13-23(22)9-11-27(12-10-23)20-14-26-21(15-25-20)28-16-17-5-1-2-6-17/h3-4,7-8,14-15,17,22H,1-2,5-6,9-13,16,24H2/t22-/m1/s1
InChIKeyBEFMNXHFMSTBRQ-JOCHJYFZSA-N
MW394.59 g/mol
LogP4.60
Rot. Bonds4

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

(1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 147066629) has the molecular formula C23H30N4S and a molecular weight of 394.59 g/mol. Its IUPAC name is (1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID147066629
Molecular FormulaC23H30N4S
Molecular Weight394.59 g/mol
Exact Mass394.22
IUPAC Name(1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(SCC3CCCC3)cn1)CC2
InChIInChI=1S/C23H30N4S/c24-22-19-8-4-3-7-18(19)13-23(22)9-11-27(12-10-23)20-14-26-21(15-25-20)28-16-17-5-1-2-6-17/h3-4,7-8,14-15,17,22H,1-2,5-6,9-13,16,24H2/t22-/m1/s1
InChIKeyBEFMNXHFMSTBRQ-JOCHJYFZSA-N
XLogP4.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 147066629) is (1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cnc(SCC3CCCC3)cn1)CC2.
What is the InChIKey of (1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is BEFMNXHFMSTBRQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N4S/c24-22-19-8-4-3-7-18(19)13-23(22)9-11-27(12-10-23)20-14-26-21(15-25-20)28-16-17-5-1-2-6-17/h3-4,7-8,14-15,17,22H,1-2,5-6,9-13,16,24H2/t22-/m1/s1.
What are the key properties of (1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 394.59 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-(cyclopentylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 147066629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).