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

C11H23NO4S — CID 58283382

IUPAC4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCOC(OCCN1CCS(=O)(=O)CC1)C(C)C
InChIInChI=1S/C11H23NO4S/c1-10(2)11(15-3)16-7-4-12-5-8-17(13,14)9-6-12/h10-11H,4-9H2,1-3H3
InChIKeyKYAVLHJNERWEDV-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.36
Rot. Bonds6

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

4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283382) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283382
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCOC(OCCN1CCS(=O)(=O)CC1)C(C)C
InChIInChI=1S/C11H23NO4S/c1-10(2)11(15-3)16-7-4-12-5-8-17(13,14)9-6-12/h10-11H,4-9H2,1-3H3
InChIKeyKYAVLHJNERWEDV-UHFFFAOYSA-N
XLogP0.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.36
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-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide (CID 58283382) is 4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide is COC(OCCN1CCS(=O)(=O)CC1)C(C)C.
What is the InChIKey of 4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is KYAVLHJNERWEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-10(2)11(15-3)16-7-4-12-5-8-17(13,14)9-6-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 265.37 g/mol, XLogP of 0.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).