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

C26H33Cl2N5OS2 — CID 139427302

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

N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 139427302) has the molecular formula C26H33Cl2N5OS2 and a molecular weight of 566.62 g/mol. Its IUPAC name is N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-N,2-dimethylpropane-2-sulfinamide
• PubChem CID: 139427302
• Molecular Formula: C26H33Cl2N5OS2
• Molecular Weight: 566.62 g/mol
• Exact Mass: 565.15
• IUPAC Name: N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-N,2-dimethylpropane-2-sulfinamide
• SMILES: CN([C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2)S(=O)C(C)(C)C
• InChI: InChI=1S/C26H33Cl2N5OS2/c1-25(2,3)36(34)31(4)21-9-6-10-26(21)11-14-32(15-12-26)24-30-17-20(23-29-13-16-33(23)24)35-19-8-5-7-18(27)22(19)28/h5,7-8,13,16-17,21H,6,9-12,14-15H2,1-4H3/t21-,36?/m1/s1
• InChIKey: AUOPOSIUTYXMJT-XAEBCRAKSA-N
• XLogP: 6.72
• TPSA: 53.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.62
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-N,2-dimethylpropane-2-sulfinamide (CID 139427302) is N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-N,2-dimethylpropane-2-sulfinamide.

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

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

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

The InChIKey is AUOPOSIUTYXMJT-XAEBCRAKSA-N. The full InChI is InChI=1S/C26H33Cl2N5OS2/c1-25(2,3)36(34)31(4)21-9-6-10-26(21)11-14-32(15-12-26)24-30-17-20(23-29-13-16-33(23)24)35-19-8-5-7-18(27)22(19)28/h5,7-8,13,16-17,21H,6,9-12,14-15H2,1-4H3/t21-,36?/m1/s1.

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

N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 566.62 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 139427302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).