2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide

C9H10N2O2S — CID 15646701

IUPAC2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide
SMILESO=S1(=O)Nc2cccc3c2N1CCC3
InChIInChI=1S/C9H10N2O2S/c12-14(13)10-8-5-1-3-7-4-2-6-11(14)9(7)8/h1,3,5,10H,2,4,6H2
InChIKeyJHMCTYFFSZYBHP-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.11
Rot. Bonds

About 2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide

2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide (PubChem CID 15646701) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide.

Molecular Properties

Compound Name2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide
PubChem CID15646701
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide
SMILESO=S1(=O)Nc2cccc3c2N1CCC3
InChIInChI=1S/C9H10N2O2S/c12-14(13)10-8-5-1-3-7-4-2-6-11(14)9(7)8/h1,3,5,10H,2,4,6H2
InChIKeyJHMCTYFFSZYBHP-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide?
The IUPAC name of 2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide (CID 15646701) is 2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide.
What is the SMILES notation for 2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide?
The canonical SMILES for 2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide is O=S1(=O)Nc2cccc3c2N1CCC3.
What is the InChIKey of 2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide?
The InChIKey is JHMCTYFFSZYBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c12-14(13)10-8-5-1-3-7-4-2-6-11(14)9(7)8/h1,3,5,10H,2,4,6H2.
What are the key properties of 2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide?
2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide has a molecular weight of 210.26 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide is sourced from PubChem (CID 15646701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).