4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide

C10H19NO2S — CID 162115319

IUPAC4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide
SMILESC=C1CS(=O)(=O)CCN1CC(C)(C)C
InChIInChI=1S/C10H19NO2S/c1-9-7-14(12,13)6-5-11(9)8-10(2,3)4/h1,5-8H2,2-4H3
InChIKeyGBPSFUXYOSMRMN-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.28
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide

4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide (PubChem CID 162115319) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide
PubChem CID162115319
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide
SMILESC=C1CS(=O)(=O)CCN1CC(C)(C)C
InChIInChI=1S/C10H19NO2S/c1-9-7-14(12,13)6-5-11(9)8-10(2,3)4/h1,5-8H2,2-4H3
InChIKeyGBPSFUXYOSMRMN-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide (CID 162115319) is 4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide is C=C1CS(=O)(=O)CCN1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide?
The InChIKey is GBPSFUXYOSMRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9-7-14(12,13)6-5-11(9)8-10(2,3)4/h1,5-8H2,2-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide?
4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide has a molecular weight of 217.33 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-methylidene-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 162115319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).