3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide

C11H21NO2S — CID 21394501

IUPAC3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
SMILESC=CCN1C(C)(C)CS(=O)(=O)CC1(C)C
InChIInChI=1S/C11H21NO2S/c1-6-7-12-10(2,3)8-15(13,14)9-11(12,4)5/h6H,1,7-9H2,2-5H3
InChIKeyGEMFSFKAODOVPB-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.46
Rot. Bonds2

About 3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide

3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide (PubChem CID 21394501) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
PubChem CID21394501
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
SMILESC=CCN1C(C)(C)CS(=O)(=O)CC1(C)C
InChIInChI=1S/C11H21NO2S/c1-6-7-12-10(2,3)8-15(13,14)9-11(12,4)5/h6H,1,7-9H2,2-5H3
InChIKeyGEMFSFKAODOVPB-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide (CID 21394501) is 3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide is C=CCN1C(C)(C)CS(=O)(=O)CC1(C)C.
What is the InChIKey of 3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is GEMFSFKAODOVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-6-7-12-10(2,3)8-15(13,14)9-11(12,4)5/h6H,1,7-9H2,2-5H3.
What are the key properties of 3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
3,3,5,5-tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 231.36 g/mol, XLogP of 1.46, 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-prop-2-enyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 21394501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).