2,5-ditert-butylthiazinane 1,1-dioxide

C12H25NO2S — CID 23591909

IUPAC2,5-ditert-butylthiazinane 1,1-dioxide
SMILESCC(C)(C)C1CCN(C(C)(C)C)S(=O)(=O)C1
InChIInChI=1S/C12H25NO2S/c1-11(2,3)10-7-8-13(12(4,5)6)16(14,15)9-10/h10H,7-9H2,1-6H3
InChIKeyOMDOGZFTYCDJOB-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.48
Rot. Bonds

About 2,5-ditert-butylthiazinane 1,1-dioxide

2,5-ditert-butylthiazinane 1,1-dioxide (PubChem CID 23591909) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2,5-ditert-butylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,5-ditert-butylthiazinane 1,1-dioxide
PubChem CID23591909
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2,5-ditert-butylthiazinane 1,1-dioxide
SMILESCC(C)(C)C1CCN(C(C)(C)C)S(=O)(=O)C1
InChIInChI=1S/C12H25NO2S/c1-11(2,3)10-7-8-13(12(4,5)6)16(14,15)9-10/h10H,7-9H2,1-6H3
InChIKeyOMDOGZFTYCDJOB-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butylthiazinane 1,1-dioxide?
The IUPAC name of 2,5-ditert-butylthiazinane 1,1-dioxide (CID 23591909) is 2,5-ditert-butylthiazinane 1,1-dioxide.
What is the SMILES notation for 2,5-ditert-butylthiazinane 1,1-dioxide?
The canonical SMILES for 2,5-ditert-butylthiazinane 1,1-dioxide is CC(C)(C)C1CCN(C(C)(C)C)S(=O)(=O)C1.
What is the InChIKey of 2,5-ditert-butylthiazinane 1,1-dioxide?
The InChIKey is OMDOGZFTYCDJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(2,3)10-7-8-13(12(4,5)6)16(14,15)9-10/h10H,7-9H2,1-6H3.
What are the key properties of 2,5-ditert-butylthiazinane 1,1-dioxide?
2,5-ditert-butylthiazinane 1,1-dioxide has a molecular weight of 247.40 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butylthiazinane 1,1-dioxide is sourced from PubChem (CID 23591909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).