4-methylsulfonyl-1,4-thiazinane 1,1-dioxide

C5H11NO4S2 — CID 20745850

IUPAC4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCS(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C5H11NO4S2/c1-11(7,8)6-2-4-12(9,10)5-3-6/h2-5H2,1H3
InChIKeyGBGJMFGDUAUHSX-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.32
Rot. Bonds1

About 4-methylsulfonyl-1,4-thiazinane 1,1-dioxide

4-methylsulfonyl-1,4-thiazinane 1,1-dioxide (PubChem CID 20745850) has the molecular formula C5H11NO4S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methylsulfonyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
PubChem CID20745850
Molecular FormulaC5H11NO4S2
Molecular Weight213.28 g/mol
Exact Mass213.01
IUPAC Name4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCS(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C5H11NO4S2/c1-11(7,8)6-2-4-12(9,10)5-3-6/h2-5H2,1H3
InChIKeyGBGJMFGDUAUHSX-UHFFFAOYSA-N
XLogP-1.32
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-methylsulfonyl-1,4-thiazinane 1,1-dioxide (CID 20745850) is 4-methylsulfonyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-methylsulfonyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-methylsulfonyl-1,4-thiazinane 1,1-dioxide is CS(=O)(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-methylsulfonyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is GBGJMFGDUAUHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S2/c1-11(7,8)6-2-4-12(9,10)5-3-6/h2-5H2,1H3.
What are the key properties of 4-methylsulfonyl-1,4-thiazinane 1,1-dioxide?
4-methylsulfonyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 213.28 g/mol, XLogP of -1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 20745850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).