(1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide

C8H13NO3S — CID 101253019

IUPAC(1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide
SMILESO=S1(=O)CC[C@H]2ON3CCC[C@@H]3[C@H]21
InChIInChI=1S/C8H13NO3S/c10-13(11)5-3-7-8(13)6-2-1-4-9(6)12-7/h6-8H,1-5H2/t6-,7-,8-/m1/s1
InChIKeySIDHMZQPITXJBS-BWZBUEFSSA-N
MW203.26 g/mol
LogP-0.05
Rot. Bonds

About (1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide

(1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide (PubChem CID 101253019) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is (1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide.

Molecular Properties

Compound Name(1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide
PubChem CID101253019
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name(1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide
SMILESO=S1(=O)CC[C@H]2ON3CCC[C@@H]3[C@H]21
InChIInChI=1S/C8H13NO3S/c10-13(11)5-3-7-8(13)6-2-1-4-9(6)12-7/h6-8H,1-5H2/t6-,7-,8-/m1/s1
InChIKeySIDHMZQPITXJBS-BWZBUEFSSA-N
XLogP-0.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide?
The IUPAC name of (1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide (CID 101253019) is (1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide.
What is the SMILES notation for (1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide?
The canonical SMILES for (1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide is O=S1(=O)CC[C@H]2ON3CCC[C@@H]3[C@H]21.
What is the InChIKey of (1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide?
The InChIKey is SIDHMZQPITXJBS-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H13NO3S/c10-13(11)5-3-7-8(13)6-2-1-4-9(6)12-7/h6-8H,1-5H2/t6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide?
(1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide has a molecular weight of 203.26 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide is sourced from PubChem (CID 101253019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).