(1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C28H31N5S2 — CID 146466950

IUPAC(1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCC(C)Sc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12
InChIInChI=1S/C28H31N5S2/c1-19(2)34-22-9-5-6-10-23(22)35-24-18-31-27(33-16-13-30-26(24)33)32-14-11-28(12-15-32)17-20-7-3-4-8-21(20)25(28)29/h3-10,13,16,18-19,25H,11-12,14-15,17,29H2,1-2H3/t25-/m1/s1
InChIKeyHGPVFJWXZXEFGF-RUZDIDTESA-N
MW501.73 g/mol
LogP6.22
Rot. Bonds5

About (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146466950) has the molecular formula C28H31N5S2 and a molecular weight of 501.73 g/mol. Its IUPAC name is (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID146466950
Molecular FormulaC28H31N5S2
Molecular Weight501.73 g/mol
Exact Mass501.20
IUPAC Name(1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCC(C)Sc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12
InChIInChI=1S/C28H31N5S2/c1-19(2)34-22-9-5-6-10-23(22)35-24-18-31-27(33-16-13-30-26(24)33)32-14-11-28(12-15-32)17-20-7-3-4-8-21(20)25(28)29/h3-10,13,16,18-19,25H,11-12,14-15,17,29H2,1-2H3/t25-/m1/s1
InChIKeyHGPVFJWXZXEFGF-RUZDIDTESA-N
XLogP6.22
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.73
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146466950) is (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is CC(C)Sc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12.
What is the InChIKey of (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is HGPVFJWXZXEFGF-RUZDIDTESA-N. The full InChI is InChI=1S/C28H31N5S2/c1-19(2)34-22-9-5-6-10-23(22)35-24-18-31-27(33-16-13-30-26(24)33)32-14-11-28(12-15-32)17-20-7-3-4-8-21(20)25(28)29/h3-10,13,16,18-19,25H,11-12,14-15,17,29H2,1-2H3/t25-/m1/s1.
What are the key properties of (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 501.73 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-(2-propan-2-ylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146466950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).