3-cyclobutyl-1,4-thiazinane 1,1-dioxide

C8H15NO2S — CID 105443920

IUPAC3-cyclobutyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(C2CCC2)C1
InChIInChI=1S/C8H15NO2S/c10-12(11)5-4-9-8(6-12)7-2-1-3-7/h7-9H,1-6H2
InChIKeyFGWCVIWKQRVKPQ-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.17
Rot. Bonds1

About 3-cyclobutyl-1,4-thiazinane 1,1-dioxide

3-cyclobutyl-1,4-thiazinane 1,1-dioxide (PubChem CID 105443920) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-cyclobutyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-cyclobutyl-1,4-thiazinane 1,1-dioxide
PubChem CID105443920
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name3-cyclobutyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(C2CCC2)C1
InChIInChI=1S/C8H15NO2S/c10-12(11)5-4-9-8(6-12)7-2-1-3-7/h7-9H,1-6H2
InChIKeyFGWCVIWKQRVKPQ-UHFFFAOYSA-N
XLogP0.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-cyclobutyl-1,4-thiazinane 1,1-dioxide (CID 105443920) is 3-cyclobutyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-cyclobutyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-cyclobutyl-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNC(C2CCC2)C1.
What is the InChIKey of 3-cyclobutyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is FGWCVIWKQRVKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c10-12(11)5-4-9-8(6-12)7-2-1-3-7/h7-9H,1-6H2.
What are the key properties of 3-cyclobutyl-1,4-thiazinane 1,1-dioxide?
3-cyclobutyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 105443920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).