4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide

C8H17NO4S — CID 58283230

IUPAC4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCOCOCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO4S/c1-12-8-13-5-2-9-3-6-14(10,11)7-4-9/h2-8H2,1H3
InChIKeyMZFRRHXDQWRUCN-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.66
Rot. Bonds5

About 4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283230) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283230
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCOCOCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO4S/c1-12-8-13-5-2-9-3-6-14(10,11)7-4-9/h2-8H2,1H3
InChIKeyMZFRRHXDQWRUCN-UHFFFAOYSA-N
XLogP-0.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide (CID 58283230) is 4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide is COCOCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is MZFRRHXDQWRUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-12-8-13-5-2-9-3-6-14(10,11)7-4-9/h2-8H2,1H3.
What are the key properties of 4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 223.29 g/mol, XLogP of -0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).