(R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

C44H59Cl2IN10O2S3 — CID 159007941

About (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 159007941) has the molecular formula C44H59Cl2IN10O2S3 and a molecular weight of 1054.03 g/mol. Its IUPAC name is (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 159007941
• Molecular Formula: C44H59Cl2IN10O2S3
• Molecular Weight: 1054.03 g/mol
• Exact Mass: 1052.24
• IUPAC Name: (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(I)c3nccn13)CC2.CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
• InChI: InChI=1S/C25H31Cl2N5OS2.C19H28IN5OS/c1-24(2,3)35(33)30-20-8-5-9-25(20)10-13-31(14-11-25)23-29-16-19(22-28-12-15-32(22)23)34-18-7-4-6-17(26)21(18)27;1-18(2,3)27(26)23-15-5-4-6-19(15)7-10-24(11-8-19)17-22-13-14(20)16-21-9-12-25(16)17/h4,6-7,12,15-16,20,30H,5,8-11,13-14H2,1-3H3;9,12-13,15,23H,4-8,10-11H2,1-3H3/t20-,35-;15-,27-/m11/s1
• InChIKey: JSDOYTSVINOPDJ-ZQIBVKLBSA-N
• XLogP: 9.90
• TPSA: 125.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1054.03
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 159007941) is (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(I)c3nccn13)CC2.CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.

What is the InChIKey of (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is JSDOYTSVINOPDJ-ZQIBVKLBSA-N. The full InChI is InChI=1S/C25H31Cl2N5OS2.C19H28IN5OS/c1-24(2,3)35(33)30-20-8-5-9-25(20)10-13-31(14-11-25)23-29-16-19(22-28-12-15-32(22)23)34-18-7-4-6-17(26)21(18)27;1-18(2,3)27(26)23-15-5-4-6-19(15)7-10-24(11-8-19)17-22-13-14(20)16-21-9-12-25(16)17/h4,6-7,12,15-16,20,30H,5,8-11,13-14H2,1-3H3;9,12-13,15,23H,4-8,10-11H2,1-3H3/t20-,35-;15-,27-/m11/s1.

What are the key properties of (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?

(R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 1054.03 g/mol, XLogP of 9.90, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 159007941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).