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

C9H19NO4S — CID 58283413

IUPAC4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCOC(C)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO4S/c1-9(13-2)14-6-3-10-4-7-15(11,12)8-5-10/h9H,3-8H2,1-2H3
InChIKeyZENAOBXHTWRMJK-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.27
Rot. Bonds5

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

4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283413) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283413
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCOC(C)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO4S/c1-9(13-2)14-6-3-10-4-7-15(11,12)8-5-10/h9H,3-8H2,1-2H3
InChIKeyZENAOBXHTWRMJK-UHFFFAOYSA-N
XLogP-0.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide (CID 58283413) is 4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide is COC(C)OCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZENAOBXHTWRMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(13-2)14-6-3-10-4-7-15(11,12)8-5-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 237.32 g/mol, XLogP of -0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).