(10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide

C12H15NO2S — CID 134858524

IUPAC(10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide
SMILESC[C@H]1CN2C[C@H]1Cc1ccccc1S2(=O)=O
InChIInChI=1S/C12H15NO2S/c1-9-7-13-8-11(9)6-10-4-2-3-5-12(10)16(13,14)15/h2-5,9,11H,6-8H2,1H3/t9-,11+/m0/s1
InChIKeyLAMSIDDOIZIIGI-GXSJLCMTSA-N
MW237.32 g/mol
LogP1.50
Rot. Bonds

About (10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide

(10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide (PubChem CID 134858524) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is (10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide.

Molecular Properties

Compound Name(10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide
PubChem CID134858524
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name(10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide
SMILESC[C@H]1CN2C[C@H]1Cc1ccccc1S2(=O)=O
InChIInChI=1S/C12H15NO2S/c1-9-7-13-8-11(9)6-10-4-2-3-5-12(10)16(13,14)15/h2-5,9,11H,6-8H2,1H3/t9-,11+/m0/s1
InChIKeyLAMSIDDOIZIIGI-GXSJLCMTSA-N
XLogP1.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide?
The IUPAC name of (10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide (CID 134858524) is (10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide.
What is the SMILES notation for (10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide?
The canonical SMILES for (10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide is C[C@H]1CN2C[C@H]1Cc1ccccc1S2(=O)=O.
What is the InChIKey of (10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide?
The InChIKey is LAMSIDDOIZIIGI-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-9-7-13-8-11(9)6-10-4-2-3-5-12(10)16(13,14)15/h2-5,9,11H,6-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of (10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide?
(10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide has a molecular weight of 237.32 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide is sourced from PubChem (CID 134858524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).