2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

C8H18N2O3S — CID 71248832

IUPAC2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOCCCCN1CCN(C)S1(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-9-6-7-10(14(9,11)12)5-3-4-8-13-2/h3-8H2,1-2H3
InChIKeyZQZITVHXFPFXGF-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.09
Rot. Bonds5

About 2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 71248832) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID71248832
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOCCCCN1CCN(C)S1(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-9-6-7-10(14(9,11)12)5-3-4-8-13-2/h3-8H2,1-2H3
InChIKeyZQZITVHXFPFXGF-UHFFFAOYSA-N
XLogP-0.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 71248832) is 2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is COCCCCN1CCN(C)S1(=O)=O.
What is the InChIKey of 2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is ZQZITVHXFPFXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-9-6-7-10(14(9,11)12)5-3-4-8-13-2/h3-8H2,1-2H3.
What are the key properties of 2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 222.31 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 71248832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).