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

C27H29N5S2 — CID 146466941

IUPAC(1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCCSc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12
InChIInChI=1S/C27H29N5S2/c1-2-33-21-9-5-6-10-22(21)34-23-18-30-26(32-16-13-29-25(23)32)31-14-11-27(12-15-31)17-19-7-3-4-8-20(19)24(27)28/h3-10,13,16,18,24H,2,11-12,14-15,17,28H2,1H3/t24-/m1/s1
InChIKeyUQWFEWOXHJBXTG-XMMPIXPASA-N
MW487.70 g/mol
LogP5.84
Rot. Bonds5

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

(1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146466941) has the molecular formula C27H29N5S2 and a molecular weight of 487.70 g/mol. Its IUPAC name is (1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID146466941
Molecular FormulaC27H29N5S2
Molecular Weight487.70 g/mol
Exact Mass487.19
IUPAC Name(1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCCSc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12
InChIInChI=1S/C27H29N5S2/c1-2-33-21-9-5-6-10-22(21)34-23-18-30-26(32-16-13-29-25(23)32)31-14-11-27(12-15-31)17-19-7-3-4-8-20(19)24(27)28/h3-10,13,16,18,24H,2,11-12,14-15,17,28H2,1H3/t24-/m1/s1
InChIKeyUQWFEWOXHJBXTG-XMMPIXPASA-N
XLogP5.84
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.70
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146466941) is (1S)-1'-[8-(2-ethylsulfanylphenyl)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-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is CCSc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12.
What is the InChIKey of (1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is UQWFEWOXHJBXTG-XMMPIXPASA-N. The full InChI is InChI=1S/C27H29N5S2/c1-2-33-21-9-5-6-10-22(21)34-23-18-30-26(32-16-13-29-25(23)32)31-14-11-27(12-15-31)17-19-7-3-4-8-20(19)24(27)28/h3-10,13,16,18,24H,2,11-12,14-15,17,28H2,1H3/t24-/m1/s1.
What are the key properties of (1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 487.70 g/mol, XLogP of 5.84, 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-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146466941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).