3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide

C8H17NO2S — CID 21394477

IUPAC3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1(C)CS(=O)(=O)CC(C)(C)N1
InChIInChI=1S/C8H17NO2S/c1-7(2)5-12(10,11)6-8(3,4)9-7/h9H,5-6H2,1-4H3
InChIKeyCVLJKXMMJMPGSF-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds

About 3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide

3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 21394477) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
PubChem CID21394477
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1(C)CS(=O)(=O)CC(C)(C)N1
InChIInChI=1S/C8H17NO2S/c1-7(2)5-12(10,11)6-8(3,4)9-7/h9H,5-6H2,1-4H3
InChIKeyCVLJKXMMJMPGSF-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide (CID 21394477) is 3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide is CC1(C)CS(=O)(=O)CC(C)(C)N1.
What is the InChIKey of 3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is CVLJKXMMJMPGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)5-12(10,11)6-8(3,4)9-7/h9H,5-6H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide?
3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 21394477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).