(R)-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;(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

C51H64Cl4N10O2S4 — CID 158431684

IUPAC(R)-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;(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
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.CN([C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2)[S@](=O)C(C)(C)C
InChIInChI=1S/C26H33Cl2N5OS2.C25H31Cl2N5OS2/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;1-24(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/h5,7-8,13,16-17,21H,6,9-12,14-15H2,1-4H3;4,6-7,12,15-16,20,30H,5,8-11,13-14H2,1-3H3/t21-,36-;20-,35-/m11/s1
InChIKeyHBSQZBXAFDSGQY-IHPRQYAYSA-N
MW1119.22 g/mol
LogP13.10
Rot. Bonds10

About (R)-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;(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-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-N,2-dimethylpropane-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 (PubChem CID 158431684) has the molecular formula C51H64Cl4N10O2S4 and a molecular weight of 1119.22 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]-N,2-dimethylpropane-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.

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]-N,2-dimethylpropane-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
PubChem CID158431684
Molecular FormulaC51H64Cl4N10O2S4
Molecular Weight1119.22 g/mol
Exact Mass1116.29
IUPAC Name(R)-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;(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
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.CN([C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2)[S@](=O)C(C)(C)C
InChIInChI=1S/C26H33Cl2N5OS2.C25H31Cl2N5OS2/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;1-24(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/h5,7-8,13,16-17,21H,6,9-12,14-15H2,1-4H3;4,6-7,12,15-16,20,30H,5,8-11,13-14H2,1-3H3/t21-,36-;20-,35-/m11/s1
InChIKeyHBSQZBXAFDSGQY-IHPRQYAYSA-N
XLogP13.10
TPSA116.27 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.22
LogP ≤ 513.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze (R)-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;(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 with MolForge

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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]-N,2-dimethylpropane-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?
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]-N,2-dimethylpropane-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 (CID 158431684) is (R)-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;(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.
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]-N,2-dimethylpropane-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?
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]-N,2-dimethylpropane-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 is CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.CN([C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2)[S@](=O)C(C)(C)C.
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]-N,2-dimethylpropane-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?
The InChIKey is HBSQZBXAFDSGQY-IHPRQYAYSA-N. The full InChI is InChI=1S/C26H33Cl2N5OS2.C25H31Cl2N5OS2/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;1-24(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/h5,7-8,13,16-17,21H,6,9-12,14-15H2,1-4H3;4,6-7,12,15-16,20,30H,5,8-11,13-14H2,1-3H3/t21-,36-;20-,35-/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]-N,2-dimethylpropane-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-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-N,2-dimethylpropane-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 has a molecular weight of 1119.22 g/mol, XLogP of 13.10, 10 rotatable bonds, 1 hydrogen bond donors, and 12 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]-N,2-dimethylpropane-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 is sourced from PubChem (CID 158431684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).