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

C11H23NO2S — CID 21394474

IUPAC3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide
SMILESCCCN1C(C)(C)CS(=O)(=O)CC1(C)C
InChIInChI=1S/C11H23NO2S/c1-6-7-12-10(2,3)8-15(13,14)9-11(12,4)5/h6-9H2,1-5H3
InChIKeyXONBLPKPPPTMGP-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.68
Rot. Bonds2

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

3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide (PubChem CID 21394474) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide
PubChem CID21394474
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide
SMILESCCCN1C(C)(C)CS(=O)(=O)CC1(C)C
InChIInChI=1S/C11H23NO2S/c1-6-7-12-10(2,3)8-15(13,14)9-11(12,4)5/h6-9H2,1-5H3
InChIKeyXONBLPKPPPTMGP-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide (CID 21394474) is 3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide is CCCN1C(C)(C)CS(=O)(=O)CC1(C)C.
What is the InChIKey of 3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is XONBLPKPPPTMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-6-7-12-10(2,3)8-15(13,14)9-11(12,4)5/h6-9H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide?
3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 233.38 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 21394474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).