4-methyl-4-phenyloxathiazinane 2,2-dioxide

C10H13NO3S — CID 122549075

IUPAC4-methyl-4-phenyloxathiazinane 2,2-dioxide
SMILESCC1(c2ccccc2)CCOS(=O)(=O)N1
InChIInChI=1S/C10H13NO3S/c1-10(9-5-3-2-4-6-9)7-8-14-15(12,13)11-10/h2-6,11H,7-8H2,1H3
InChIKeyZTZHLYHAQXIUEL-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.16
Rot. Bonds1

About 4-methyl-4-phenyloxathiazinane 2,2-dioxide

4-methyl-4-phenyloxathiazinane 2,2-dioxide (PubChem CID 122549075) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-methyl-4-phenyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name4-methyl-4-phenyloxathiazinane 2,2-dioxide
PubChem CID122549075
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name4-methyl-4-phenyloxathiazinane 2,2-dioxide
SMILESCC1(c2ccccc2)CCOS(=O)(=O)N1
InChIInChI=1S/C10H13NO3S/c1-10(9-5-3-2-4-6-9)7-8-14-15(12,13)11-10/h2-6,11H,7-8H2,1H3
InChIKeyZTZHLYHAQXIUEL-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-4-phenyloxathiazinane 2,2-dioxide
CID 24761743
4-(2-Phenylcyclopropyl)oxathiazinane 2,2-dioxide
CID 24761745
4-Phenyl-1,2,3-oxathiazinane 2,2-dioxide
CID 11378883
N-cumylsulfamic acid 2,2,2-trichloroethyl ester
CID 24761686
3-Methyl-4-phenyloxathiazinane 2,2-dioxide
CID 24761703
5-Benzyl-4-prop-2-enyloxathiazinane 2,2-dioxide
CID 24761710
6-(Cyclohexylmethyl)-4-phenyloxathiazinane 2,2-dioxide
CID 24761758
6-(2-Phenylethyl)-4-propyloxathiazinane 2,2-dioxide
CID 24762016
4-Phenyloxan-4-amine
CID 24273627
4-(4-(Trifluoromethyl)phenyl)-1,2,3-oxathiazinane 2,2-dioxide
CID 91844935
4-(4-Fluorophenyl)oxan-4-amine hydrochloride
CID 85604901
(4S)-4-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide
CID 102589754

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyloxathiazinane 2,2-dioxide?
The IUPAC name of 4-methyl-4-phenyloxathiazinane 2,2-dioxide (CID 122549075) is 4-methyl-4-phenyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 4-methyl-4-phenyloxathiazinane 2,2-dioxide?
The canonical SMILES for 4-methyl-4-phenyloxathiazinane 2,2-dioxide is CC1(c2ccccc2)CCOS(=O)(=O)N1.
What is the InChIKey of 4-methyl-4-phenyloxathiazinane 2,2-dioxide?
The InChIKey is ZTZHLYHAQXIUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-10(9-5-3-2-4-6-9)7-8-14-15(12,13)11-10/h2-6,11H,7-8H2,1H3.
What are the key properties of 4-methyl-4-phenyloxathiazinane 2,2-dioxide?
4-methyl-4-phenyloxathiazinane 2,2-dioxide has a molecular weight of 227.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 122549075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).