(1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide

C11H19NO2S — CID 86814862

IUPAC(1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
SMILESCN1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C
InChIInChI=1S/C11H19NO2S/c1-10(2)8-4-5-11(10)7-15(13,14)12(3)9(11)6-8/h8-9H,4-7H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyZTEXMFBFMDPKOQ-FXPVBKGRSA-N
MW229.34 g/mol
LogP1.46
Rot. Bonds

About (1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide

(1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide (PubChem CID 86814862) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is (1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide.

Molecular Properties

Compound Name(1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
PubChem CID86814862
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name(1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
SMILESCN1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C
InChIInChI=1S/C11H19NO2S/c1-10(2)8-4-5-11(10)7-15(13,14)12(3)9(11)6-8/h8-9H,4-7H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyZTEXMFBFMDPKOQ-FXPVBKGRSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The IUPAC name of (1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide (CID 86814862) is (1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide.
What is the SMILES notation for (1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The canonical SMILES for (1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide is CN1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C.
What is the InChIKey of (1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The InChIKey is ZTEXMFBFMDPKOQ-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-10(2)8-4-5-11(10)7-15(13,14)12(3)9(11)6-8/h8-9H,4-7H2,1-3H3/t8-,9-,11-/m1/s1.
What are the key properties of (1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
(1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide has a molecular weight of 229.34 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide is sourced from PubChem (CID 86814862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).