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

C7H16N2O3S — CID 173224039

IUPAC2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOCCCCN1CCNS1(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-12-7-3-2-5-9-6-4-8-13(9,10)11/h8H,2-7H2,1H3
InChIKeyDHOBMMBIEKUWTH-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.44
Rot. Bonds5

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

2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 173224039) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID173224039
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOCCCCN1CCNS1(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-12-7-3-2-5-9-6-4-8-13(9,10)11/h8H,2-7H2,1H3
InChIKeyDHOBMMBIEKUWTH-UHFFFAOYSA-N
XLogP-0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
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)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 173224039) is 2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide is COCCCCN1CCNS1(=O)=O.
What is the InChIKey of 2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is DHOBMMBIEKUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-12-7-3-2-5-9-6-4-8-13(9,10)11/h8H,2-7H2,1H3.
What are the key properties of 2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 208.28 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 173224039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).