(4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide

C12H18NO2PS — CID 23416261

IUPAC(4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide
SMILESCCOP1(=O)S[C@@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C12H18NO2PS/c1-4-15-16(14)13(3)10(2)12(17-16)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3/t10-,12+,16?/m0/s1
InChIKeyLABDYZPFCNJYNE-FBQUQXAYSA-N
MW271.32 g/mol
LogP3.94
Rot. Bonds3

About (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide

(4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide (PubChem CID 23416261) has the molecular formula C12H18NO2PS and a molecular weight of 271.32 g/mol. Its IUPAC name is (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide.

Molecular Properties

Compound Name(4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide
PubChem CID23416261
Molecular FormulaC12H18NO2PS
Molecular Weight271.32 g/mol
Exact Mass271.08
IUPAC Name(4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide
SMILESCCOP1(=O)S[C@@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C12H18NO2PS/c1-4-15-16(14)13(3)10(2)12(17-16)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3/t10-,12+,16?/m0/s1
InChIKeyLABDYZPFCNJYNE-FBQUQXAYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide?
The IUPAC name of (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide (CID 23416261) is (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide.
What is the SMILES notation for (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide?
The canonical SMILES for (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide is CCOP1(=O)S[C@@H](c2ccccc2)[C@H](C)N1C.
What is the InChIKey of (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide?
The InChIKey is LABDYZPFCNJYNE-FBQUQXAYSA-N. The full InChI is InChI=1S/C12H18NO2PS/c1-4-15-16(14)13(3)10(2)12(17-16)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3/t10-,12+,16?/m0/s1.
What are the key properties of (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide?
(4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide has a molecular weight of 271.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide is sourced from PubChem (CID 23416261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).