4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine

C9H20NO2PS — CID 70521501

IUPAC4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine
SMILESCCP(=O)(CC1NCSC1(C)C)OC
InChIInChI=1S/C9H20NO2PS/c1-5-13(11,12-4)6-8-9(2,3)14-7-10-8/h8,10H,5-7H2,1-4H3
InChIKeySKVRARDYDXBWDV-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.37
Rot. Bonds4

About 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine

4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine (PubChem CID 70521501) has the molecular formula C9H20NO2PS and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine
PubChem CID70521501
Molecular FormulaC9H20NO2PS
Molecular Weight237.30 g/mol
Exact Mass237.10
IUPAC Name4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine
SMILESCCP(=O)(CC1NCSC1(C)C)OC
InChIInChI=1S/C9H20NO2PS/c1-5-13(11,12-4)6-8-9(2,3)14-7-10-8/h8,10H,5-7H2,1-4H3
InChIKeySKVRARDYDXBWDV-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine 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 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine?
The IUPAC name of 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine (CID 70521501) is 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine?
The canonical SMILES for 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine is CCP(=O)(CC1NCSC1(C)C)OC.
What is the InChIKey of 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine?
The InChIKey is SKVRARDYDXBWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2PS/c1-5-13(11,12-4)6-8-9(2,3)14-7-10-8/h8,10H,5-7H2,1-4H3.
What are the key properties of 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine?
4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine has a molecular weight of 237.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methoxy)phosphoryl]methyl]-5,5-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 70521501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).