4-phenyloxathiazinane 2,2-dioxide

C9H11NO3S — CID 11378883

IUPAC4-phenyloxathiazinane 2,2-dioxide
SMILESO=S1(=O)NC(c2ccccc2)CCO1
InChIInChI=1S/C9H11NO3S/c11-14(12)10-9(6-7-13-14)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyYMVPKYHXHOLFOW-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.98
Rot. Bonds1

About 4-phenyloxathiazinane 2,2-dioxide

4-phenyloxathiazinane 2,2-dioxide (PubChem CID 11378883) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-phenyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name4-phenyloxathiazinane 2,2-dioxide
PubChem CID11378883
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name4-phenyloxathiazinane 2,2-dioxide
SMILESO=S1(=O)NC(c2ccccc2)CCO1
InChIInChI=1S/C9H11NO3S/c11-14(12)10-9(6-7-13-14)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyYMVPKYHXHOLFOW-UHFFFAOYSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyloxathiazinane 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Propanol, 3-amino-3-phenyl-
CID 203500
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
(S)-1-Phenyl-3-propanolamine
CID 2734520
(R)-1-Phenyl-3-propanolamine
CID 7016858
1-(Oxan-4-yl)-1-phenylmethanamine
CID 54593643
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-(4-(Trifluoromethyl)phenyl)-1,2,3-oxathiazinane 2,2-dioxide
CID 91844935

Frequently Asked Questions

What is the IUPAC name of 4-phenyloxathiazinane 2,2-dioxide?
The IUPAC name of 4-phenyloxathiazinane 2,2-dioxide (CID 11378883) is 4-phenyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 4-phenyloxathiazinane 2,2-dioxide?
The canonical SMILES for 4-phenyloxathiazinane 2,2-dioxide is O=S1(=O)NC(c2ccccc2)CCO1.
What is the InChIKey of 4-phenyloxathiazinane 2,2-dioxide?
The InChIKey is YMVPKYHXHOLFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c11-14(12)10-9(6-7-13-14)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2.
What are the key properties of 4-phenyloxathiazinane 2,2-dioxide?
4-phenyloxathiazinane 2,2-dioxide has a molecular weight of 213.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 11378883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).