4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide

C7H15NO2S2 — CID 152912483

IUPAC4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide
SMILESCSC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO2S2/c1-7(11-2)8-3-5-12(9,10)6-4-8/h7H,3-6H2,1-2H3
InChIKeyUHMBLBUAYXXRID-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.43
Rot. Bonds2

About 4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide

4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 152912483) has the molecular formula C7H15NO2S2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID152912483
Molecular FormulaC7H15NO2S2
Molecular Weight209.34 g/mol
Exact Mass209.05
IUPAC Name4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide
SMILESCSC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO2S2/c1-7(11-2)8-3-5-12(9,10)6-4-8/h7H,3-6H2,1-2H3
InChIKeyUHMBLBUAYXXRID-UHFFFAOYSA-N
XLogP0.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide (CID 152912483) is 4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide is CSC(C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is UHMBLBUAYXXRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S2/c1-7(11-2)8-3-5-12(9,10)6-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide?
4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 209.34 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 152912483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).