2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C16H24NO3PS — CID 10860780

IUPAC2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)([C@H]2N[C@@H](c3ccccc3)SC2(C)C)OC1
InChIInChI=1S/C16H24NO3PS/c1-15(2)10-19-21(18,20-11-15)14-16(3,4)22-13(17-14)12-8-6-5-7-9-12/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyOIKSZGLLPHHNLQ-ZIAGYGMSSA-N
MW341.41 g/mol
LogP4.39
Rot. Bonds2

About 2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 10860780) has the molecular formula C16H24NO3PS and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID10860780
Molecular FormulaC16H24NO3PS
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)([C@H]2N[C@@H](c3ccccc3)SC2(C)C)OC1
InChIInChI=1S/C16H24NO3PS/c1-15(2)10-19-21(18,20-11-15)14-16(3,4)22-13(17-14)12-8-6-5-7-9-12/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyOIKSZGLLPHHNLQ-ZIAGYGMSSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 10860780) is 2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1(C)COP(=O)([C@H]2N[C@@H](c3ccccc3)SC2(C)C)OC1.
What is the InChIKey of 2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is OIKSZGLLPHHNLQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24NO3PS/c1-15(2)10-19-21(18,20-11-15)14-16(3,4)22-13(17-14)12-8-6-5-7-9-12/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of 2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 341.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 10860780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).