(1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol

C9H11NO4S — CID 134968861

IUPAC(1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol
SMILESC[C@@H](O)[C@@H]1NS(=O)(=O)Oc2ccccc21
InChIInChI=1S/C9H11NO4S/c1-6(11)9-7-4-2-3-5-8(7)14-15(12,13)10-9/h2-6,9-11H,1H3/t6-,9+/m1/s1
InChIKeyVBHQWDFQCGOWMD-MUWHJKNJSA-N
MW229.26 g/mol
LogP0.34
Rot. Bonds1

About (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol

(1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol (PubChem CID 134968861) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol
PubChem CID134968861
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name(1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol
SMILESC[C@@H](O)[C@@H]1NS(=O)(=O)Oc2ccccc21
InChIInChI=1S/C9H11NO4S/c1-6(11)9-7-4-2-3-5-8(7)14-15(12,13)10-9/h2-6,9-11H,1H3/t6-,9+/m1/s1
InChIKeyVBHQWDFQCGOWMD-MUWHJKNJSA-N
XLogP0.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]but-3-en-1-ol
CID 134968902
(4R)-4-(4-methylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
CID 102102384
4-(4-fluorophenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
CID 171776374
(4S)-4-methyl-3,4-dihydro-1,2λ6-benzoxathiine 2,2-dioxide
CID 134963054
2-methyl-1-(9H-xanthen-9-yl)propan-1-ol
CID 23562247
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol
CID 66057899
[2-[[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]methyl]phenyl]-phenylmethanone
CID 132539540
3-methyl-2-(9H-xanthen-9-yl)butanoic acid
CID 135032145
(3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one
CID 131155996
2-methyl-1-(9H-xanthen-9-yl)propan-1-one
CID 79299133
(3S)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one
CID 131041803
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol?
The IUPAC name of (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol (CID 134968861) is (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol?
The canonical SMILES for (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol is C[C@@H](O)[C@@H]1NS(=O)(=O)Oc2ccccc21.
What is the InChIKey of (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol?
The InChIKey is VBHQWDFQCGOWMD-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-6(11)9-7-4-2-3-5-8(7)14-15(12,13)10-9/h2-6,9-11H,1H3/t6-,9+/m1/s1.
What are the key properties of (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol?
(1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol has a molecular weight of 229.26 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R)-2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-4-yl]ethanol is sourced from PubChem (CID 134968861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).