6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide

C16H23NO3S — CID 24761758

IUPAC6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide
SMILESO=S1(=O)NC(c2ccccc2)CC(CC2CCCCC2)O1
InChIInChI=1S/C16H23NO3S/c18-21(19)17-16(14-9-5-2-6-10-14)12-15(20-21)11-13-7-3-1-4-8-13/h2,5-6,9-10,13,15-17H,1,3-4,7-8,11-12H2
InChIKeyORGISXAYPLMVCE-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.32
Rot. Bonds3

About 6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide

6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide (PubChem CID 24761758) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide
PubChem CID24761758
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide
SMILESO=S1(=O)NC(c2ccccc2)CC(CC2CCCCC2)O1
InChIInChI=1S/C16H23NO3S/c18-21(19)17-16(14-9-5-2-6-10-14)12-15(20-21)11-13-7-3-1-4-8-13/h2,5-6,9-10,13,15-17H,1,3-4,7-8,11-12H2
InChIKeyORGISXAYPLMVCE-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide
CID 24761694
6-Methyl-4-phenyloxathiazinane 2,2-dioxide
CID 24761743
4-(2-Phenylcyclopropyl)oxathiazinane 2,2-dioxide
CID 24761745
3-Benzyl-4-phenyloxathiazinane 2,2-dioxide
CID 24761763
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-benzhydrylsulfamate
CID 155529422
4-Phenyl-1,2,3-oxathiazinane 2,2-dioxide
CID 11378883
5-Benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide
CID 24761710
6-(2-Phenylethyl)-4-propyloxathiazinane 2,2-dioxide
CID 24762016
4-(4-(Trifluoromethyl)phenyl)-1,2,3-oxathiazinane 2,2-dioxide
CID 91844935
3-Amino-2-benzyl-3-phenylpropan-1-ol
CID 66351626
(4S)-4-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide
CID 102589754
(4S)-4-phenyloxathiazinane 2,2-dioxide
CID 45101752

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide?
The IUPAC name of 6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide (CID 24761758) is 6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide?
The canonical SMILES for 6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide is O=S1(=O)NC(c2ccccc2)CC(CC2CCCCC2)O1.
What is the InChIKey of 6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide?
The InChIKey is ORGISXAYPLMVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-21(19)17-16(14-9-5-2-6-10-14)12-15(20-21)11-13-7-3-1-4-8-13/h2,5-6,9-10,13,15-17H,1,3-4,7-8,11-12H2.
What are the key properties of 6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide?
6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide has a molecular weight of 309.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 24761758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).