4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide

C13H15NO3S — CID 176891857

IUPAC4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=C(C2CCCCC2)c2ccccc2O1
InChIInChI=1S/C13H15NO3S/c15-18(16)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-18/h4-5,8-10H,1-3,6-7H2
InChIKeyQGEIWENAYPVJRU-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.69
Rot. Bonds1

About 4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide

4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 176891857) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID176891857
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=C(C2CCCCC2)c2ccccc2O1
InChIInChI=1S/C13H15NO3S/c15-18(16)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-18/h4-5,8-10H,1-3,6-7H2
InChIKeyQGEIWENAYPVJRU-UHFFFAOYSA-N
XLogP2.69
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 176891857) is 4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide is O=S1(=O)N=C(C2CCCCC2)c2ccccc2O1.
What is the InChIKey of 4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is QGEIWENAYPVJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-18(16)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-18/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 265.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 176891857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).