4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide

C15H31NO2S — CID 59996921

IUPAC4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide
SMILESCCCN1CC(C(C)(C)C)C(C(C)(C)C)CS1(=O)=O
InChIInChI=1S/C15H31NO2S/c1-8-9-16-10-12(14(2,3)4)13(15(5,6)7)11-19(16,17)18/h12-13H,8-11H2,1-7H3
InChIKeyNZUUBSJIUIQDRF-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.37
Rot. Bonds2

About 4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide

4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide (PubChem CID 59996921) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide
PubChem CID59996921
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide
SMILESCCCN1CC(C(C)(C)C)C(C(C)(C)C)CS1(=O)=O
InChIInChI=1S/C15H31NO2S/c1-8-9-16-10-12(14(2,3)4)13(15(5,6)7)11-19(16,17)18/h12-13H,8-11H2,1-7H3
InChIKeyNZUUBSJIUIQDRF-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide?
The IUPAC name of 4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide (CID 59996921) is 4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide.
What is the SMILES notation for 4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide?
The canonical SMILES for 4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide is CCCN1CC(C(C)(C)C)C(C(C)(C)C)CS1(=O)=O.
What is the InChIKey of 4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide?
The InChIKey is NZUUBSJIUIQDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-8-9-16-10-12(14(2,3)4)13(15(5,6)7)11-19(16,17)18/h12-13H,8-11H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide?
4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide has a molecular weight of 289.49 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-propylthiazinane 1,1-dioxide is sourced from PubChem (CID 59996921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).