sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate

C6H13NNaO2PS — CID 23701870

IUPACsodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate
SMILESCC1(P(C)(=O)[O-])NCCCS1.[Na+]
InChIInChI=1S/C6H14NO2PS.Na/c1-6(10(2,8)9)7-4-3-5-11-6;/h7H,3-5H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyOBNMKOJIPLFJCG-UHFFFAOYSA-M
MW217.21 g/mol
LogP-2.34
Rot. Bonds1

About sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate

sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate (PubChem CID 23701870) has the molecular formula C6H13NNaO2PS and a molecular weight of 217.21 g/mol. Its IUPAC name is sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate.

Molecular Properties

Compound Namesodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate
PubChem CID23701870
Molecular FormulaC6H13NNaO2PS
Molecular Weight217.21 g/mol
Exact Mass217.03
IUPAC Namesodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate
SMILESCC1(P(C)(=O)[O-])NCCCS1.[Na+]
InChIInChI=1S/C6H14NO2PS.Na/c1-6(10(2,8)9)7-4-3-5-11-6;/h7H,3-5H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyOBNMKOJIPLFJCG-UHFFFAOYSA-M
XLogP-2.34
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 5-2.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate 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 sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate?
The IUPAC name of sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate (CID 23701870) is sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate.
What is the SMILES notation for sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate?
The canonical SMILES for sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate is CC1(P(C)(=O)[O-])NCCCS1.[Na+].
What is the InChIKey of sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate?
The InChIKey is OBNMKOJIPLFJCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14NO2PS.Na/c1-6(10(2,8)9)7-4-3-5-11-6;/h7H,3-5H2,1-2H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate?
sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate has a molecular weight of 217.21 g/mol, XLogP of -2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate is sourced from PubChem (CID 23701870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).