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

C23H22Cl2N4S — CID 148995998

IUPAC(1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)cn1)CC2
InChIInChI=1S/C23H22Cl2N4S/c24-17-6-3-7-18(21(17)25)30-20-14-27-19(13-28-20)29-10-8-23(9-11-29)12-15-4-1-2-5-16(15)22(23)26/h1-7,13-14,22H,8-12,26H2/t22-/m1/s1
InChIKeyPYRPCQIHSRTREB-JOCHJYFZSA-N
MW457.43 g/mol
LogP5.78
Rot. Bonds3

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

(1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 148995998) has the molecular formula C23H22Cl2N4S and a molecular weight of 457.43 g/mol. Its IUPAC name is (1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID148995998
Molecular FormulaC23H22Cl2N4S
Molecular Weight457.43 g/mol
Exact Mass456.09
IUPAC Name(1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)cn1)CC2
InChIInChI=1S/C23H22Cl2N4S/c24-17-6-3-7-18(21(17)25)30-20-14-27-19(13-28-20)29-10-8-23(9-11-29)12-15-4-1-2-5-16(15)22(23)26/h1-7,13-14,22H,8-12,26H2/t22-/m1/s1
InChIKeyPYRPCQIHSRTREB-JOCHJYFZSA-N
XLogP5.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.43
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 148995998) is (1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)cn1)CC2.
What is the InChIKey of (1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is PYRPCQIHSRTREB-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22Cl2N4S/c24-17-6-3-7-18(21(17)25)30-20-14-27-19(13-28-20)29-10-8-23(9-11-29)12-15-4-1-2-5-16(15)22(23)26/h1-7,13-14,22H,8-12,26H2/t22-/m1/s1.
What are the key properties of (1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 457.43 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 148995998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).