(4S)-4-phenyloxathiazinane 2,2-dioxide

C9H11NO3S — CID 45101752

IUPAC(4S)-4-phenyloxathiazinane 2,2-dioxide
SMILESO=S1(=O)N[C@H](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/t9-/m0/s1
InChIKeyYMVPKYHXHOLFOW-VIFPVBQESA-N
MW213.26 g/mol
LogP0.98
Rot. Bonds1

About (4S)-4-phenyloxathiazinane 2,2-dioxide

(4S)-4-phenyloxathiazinane 2,2-dioxide (PubChem CID 45101752) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is (4S)-4-phenyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name(4S)-4-phenyloxathiazinane 2,2-dioxide
PubChem CID45101752
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name(4S)-4-phenyloxathiazinane 2,2-dioxide
SMILESO=S1(=O)N[C@H](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/t9-/m0/s1
InChIKeyYMVPKYHXHOLFOW-VIFPVBQESA-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 (4S)-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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyloxathiazinane 2,2-dioxide?
The IUPAC name of (4S)-4-phenyloxathiazinane 2,2-dioxide (CID 45101752) is (4S)-4-phenyloxathiazinane 2,2-dioxide.
What is the SMILES notation for (4S)-4-phenyloxathiazinane 2,2-dioxide?
The canonical SMILES for (4S)-4-phenyloxathiazinane 2,2-dioxide is O=S1(=O)N[C@H](c2ccccc2)CCO1.
What is the InChIKey of (4S)-4-phenyloxathiazinane 2,2-dioxide?
The InChIKey is YMVPKYHXHOLFOW-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of (4S)-4-phenyloxathiazinane 2,2-dioxide?
(4S)-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 (4S)-4-phenyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 45101752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).