(2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine

C17H28NO3PS — CID 102022357

IUPAC(2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine
SMILESCC(C)OP(=O)(OC(C)C)[C@@H]1N[C@H](c2ccccc2)SC1(C)C
InChIInChI=1S/C17H28NO3PS/c1-12(2)20-22(19,21-13(3)4)16-17(5,6)23-15(18-16)14-10-8-7-9-11-14/h7-13,15-16,18H,1-6H3/t15-,16-/m0/s1
InChIKeyQWENSENOMISTDS-HOTGVXAUSA-N
MW357.46 g/mol
LogP5.17
Rot. Bonds6

About (2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine

(2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine (PubChem CID 102022357) has the molecular formula C17H28NO3PS and a molecular weight of 357.46 g/mol. Its IUPAC name is (2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine
PubChem CID102022357
Molecular FormulaC17H28NO3PS
Molecular Weight357.46 g/mol
Exact Mass357.15
IUPAC Name(2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine
SMILESCC(C)OP(=O)(OC(C)C)[C@@H]1N[C@H](c2ccccc2)SC1(C)C
InChIInChI=1S/C17H28NO3PS/c1-12(2)20-22(19,21-13(3)4)16-17(5,6)23-15(18-16)14-10-8-7-9-11-14/h7-13,15-16,18H,1-6H3/t15-,16-/m0/s1
InChIKeyQWENSENOMISTDS-HOTGVXAUSA-N
XLogP5.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.17
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 (2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine?
The IUPAC name of (2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine (CID 102022357) is (2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine.
What is the SMILES notation for (2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine?
The canonical SMILES for (2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine is CC(C)OP(=O)(OC(C)C)[C@@H]1N[C@H](c2ccccc2)SC1(C)C.
What is the InChIKey of (2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine?
The InChIKey is QWENSENOMISTDS-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H28NO3PS/c1-12(2)20-22(19,21-13(3)4)16-17(5,6)23-15(18-16)14-10-8-7-9-11-14/h7-13,15-16,18H,1-6H3/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine?
(2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine has a molecular weight of 357.46 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine is sourced from PubChem (CID 102022357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).