(3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide

C6H11NO3S — CID 23255920

IUPAC(3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide
SMILESO=S1(=O)OC[C@H]2CCCCN21
InChIInChI=1S/C6H11NO3S/c8-11(9)7-4-2-1-3-6(7)5-10-11/h6H,1-5H2/t6-/m1/s1
InChIKeyOYVIFLMZUOOUOL-ZCFIWIBFSA-N
MW177.22 g/mol
LogP0.12
Rot. Bonds

About (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide

(3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide (PubChem CID 23255920) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide.

Molecular Properties

Compound Name(3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide
PubChem CID23255920
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name(3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide
SMILESO=S1(=O)OC[C@H]2CCCCN21
InChIInChI=1S/C6H11NO3S/c8-11(9)7-4-2-1-3-6(7)5-10-11/h6H,1-5H2/t6-/m1/s1
InChIKeyOYVIFLMZUOOUOL-ZCFIWIBFSA-N
XLogP0.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide with MolForge

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Related Compounds

(4S,4aS,5S,6R)-1,1-dioxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]oxathiazine-4,5,6-triol
CID 11470464
(3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1-oxide
CID 23255916
2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine
CID 129498202
2-cyclopentyl-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026527
1-cyclooctylpyrrolidine
CID 23277874
1-cyclohexylazocane
CID 23151203
1-cyclooctylpiperidine
CID 89210756
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 63042627
2-(1,4-dioxaspiro[4.5]decan-8-yl)thiazinane 1,1-dioxide
CID 116816854
2-cyclopropyl-6-methyl-1,2,6-thiadiazinane 1,1-dioxide
CID 117026594
1-cyclohexylpiperidine;methane
CID 143122486
2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 103655491

Frequently Asked Questions

What is the IUPAC name of (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide?
The IUPAC name of (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide (CID 23255920) is (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide.
What is the SMILES notation for (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide?
The canonical SMILES for (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide is O=S1(=O)OC[C@H]2CCCCN21.
What is the InChIKey of (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide?
The InChIKey is OYVIFLMZUOOUOL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO3S/c8-11(9)7-4-2-1-3-6(7)5-10-11/h6H,1-5H2/t6-/m1/s1.
What are the key properties of (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide?
(3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide has a molecular weight of 177.22 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide is sourced from PubChem (CID 23255920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).