(4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide

C12H17NO3S — CID 134965630

IUPAC(4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide
SMILESCC(C)[C@H]1C[C@@H](c2ccccc2)NS(=O)(=O)O1
InChIInChI=1S/C12H17NO3S/c1-9(2)12-8-11(13-17(14,15)16-12)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyFLVFNWNIODZDAN-NWDGAFQWSA-N
MW255.34 g/mol
LogP2.01
Rot. Bonds2

About (4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide

(4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide (PubChem CID 134965630) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name(4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide
PubChem CID134965630
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide
SMILESCC(C)[C@H]1C[C@@H](c2ccccc2)NS(=O)(=O)O1
InChIInChI=1S/C12H17NO3S/c1-9(2)12-8-11(13-17(14,15)16-12)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyFLVFNWNIODZDAN-NWDGAFQWSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide?
The IUPAC name of (4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide (CID 134965630) is (4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide.
What is the SMILES notation for (4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide?
The canonical SMILES for (4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide is CC(C)[C@H]1C[C@@H](c2ccccc2)NS(=O)(=O)O1.
What is the InChIKey of (4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide?
The InChIKey is FLVFNWNIODZDAN-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9(2)12-8-11(13-17(14,15)16-12)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide?
(4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide has a molecular weight of 255.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide is sourced from PubChem (CID 134965630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).