[(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol

C5H11NO4S — CID 130991413

IUPAC[(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol
SMILESCN1[C@H](CO)COCS1(=O)=O
InChIInChI=1S/C5H11NO4S/c1-6-5(2-7)3-10-4-11(6,8)9/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyBGSYTHNEDLXJOR-RXMQYKEDSA-N
MW181.21 g/mol
LogP-1.40
Rot. Bonds1

About [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol

[(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol (PubChem CID 130991413) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol.

Molecular Properties

Compound Name[(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol
PubChem CID130991413
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name[(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol
SMILESCN1[C@H](CO)COCS1(=O)=O
InChIInChI=1S/C5H11NO4S/c1-6-5(2-7)3-10-4-11(6,8)9/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyBGSYTHNEDLXJOR-RXMQYKEDSA-N
XLogP-1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol 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 [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol?
The IUPAC name of [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol (CID 130991413) is [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol.
What is the SMILES notation for [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol?
The canonical SMILES for [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol is CN1[C@H](CO)COCS1(=O)=O.
What is the InChIKey of [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol?
The InChIKey is BGSYTHNEDLXJOR-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-6-5(2-7)3-10-4-11(6,8)9/h5,7H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol?
[(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol has a molecular weight of 181.21 g/mol, XLogP of -1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol is sourced from PubChem (CID 130991413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).