(R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C29H31Cl2N5OS2 — CID 146482529

IUPAC(R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C29H31Cl2N5OS2/c1-28(2,3)39(37)34-25-20-8-5-4-7-19(20)17-29(25)11-14-35(15-12-29)27-33-18-23(26-32-13-16-36(26)27)38-22-10-6-9-21(30)24(22)31/h4-10,13,16,18,25,34H,11-12,14-15,17H2,1-3H3/t25-,39+/m0/s1
InChIKeyOHIUSFZLQUYVOD-JJDPYXMGSA-N
MW600.64 g/mol
LogP7.12
Rot. Bonds5

About (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 146482529) has the molecular formula C29H31Cl2N5OS2 and a molecular weight of 600.64 g/mol. Its IUPAC name is (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID146482529
Molecular FormulaC29H31Cl2N5OS2
Molecular Weight600.64 g/mol
Exact Mass599.13
IUPAC Name(R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C29H31Cl2N5OS2/c1-28(2,3)39(37)34-25-20-8-5-4-7-19(20)17-29(25)11-14-35(15-12-29)27-33-18-23(26-32-13-16-36(26)27)38-22-10-6-9-21(30)24(22)31/h4-10,13,16,18,25,34H,11-12,14-15,17H2,1-3H3/t25-,39+/m0/s1
InChIKeyOHIUSFZLQUYVOD-JJDPYXMGSA-N
XLogP7.12
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.64
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 139427650
7-(8-((2,3-Dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-7-azaspiro[3.5]nonan-2-amine
CID 139427308
US11179397, Example 43
CID 139427499
(R)-7-(8-((2,3-dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-7-azaspiro[3.5]nonan-1-amine
CID 139427503
US11179397, Example 44
CID 139427505
(1-(8-((2,3-Dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-4-phenylpiperidin-4-yl)methanamine
CID 139427529
(1R)-8-(8-((2,3-dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-2-methyl-8-azaspiro[4.5]decan-1-amine
CID 139427565
(1R)-8-(8-((2,3-dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-3-methyl-8-azaspiro[4.5]decan-1-amine
CID 139427624
(R)-3-(8-((2,3-dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-3-azaspiro[5.5]undecan-7-amine
CID 139427676
(R)-8-(8-((2-chlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427681
US11179397, Example 121
CID 146466902
US11179397, Example 146
CID 146466916

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 146482529) is (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is OHIUSFZLQUYVOD-JJDPYXMGSA-N. The full InChI is InChI=1S/C29H31Cl2N5OS2/c1-28(2,3)39(37)34-25-20-8-5-4-7-19(20)17-29(25)11-14-35(15-12-29)27-33-18-23(26-32-13-16-36(26)27)38-22-10-6-9-21(30)24(22)31/h4-10,13,16,18,25,34H,11-12,14-15,17H2,1-3H3/t25-,39+/m0/s1.
What are the key properties of (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 600.64 g/mol, XLogP of 7.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146482529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).