2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide

C9H17NO2S — CID 131101469

IUPAC2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
SMILESC=CCN1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C9H17NO2S/c1-4-5-10-6-7-13(11,12)9(2,3)8-10/h4H,1,5-8H2,2-3H3
InChIKeyVSLFDXUFUZHJSH-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.68
Rot. Bonds2

About 2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide

2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide (PubChem CID 131101469) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
PubChem CID131101469
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
SMILESC=CCN1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C9H17NO2S/c1-4-5-10-6-7-13(11,12)9(2,3)8-10/h4H,1,5-8H2,2-3H3
InChIKeyVSLFDXUFUZHJSH-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.68
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 2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide (CID 131101469) is 2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide is C=CCN1CCS(=O)(=O)C(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is VSLFDXUFUZHJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-4-5-10-6-7-13(11,12)9(2,3)8-10/h4H,1,5-8H2,2-3H3.
What are the key properties of 2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 131101469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).