10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide

C12H23NOS — CID 66224686

IUPAC10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide
SMILESCC1CCNC2CCCCCCC2S1=O
InChIInChI=1S/C12H23NOS/c1-10-8-9-13-11-6-4-2-3-5-7-12(11)15(10)14/h10-13H,2-9H2,1H3
InChIKeyLHJFMQMZJSDZQX-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.21
Rot. Bonds

About 10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide

10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide (PubChem CID 66224686) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide.

Molecular Properties

Compound Name10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide
PubChem CID66224686
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide
SMILESCC1CCNC2CCCCCCC2S1=O
InChIInChI=1S/C12H23NOS/c1-10-8-9-13-11-6-4-2-3-5-7-12(11)15(10)14/h10-13H,2-9H2,1H3
InChIKeyLHJFMQMZJSDZQX-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide?
The IUPAC name of 10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide (CID 66224686) is 10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide.
What is the SMILES notation for 10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide?
The canonical SMILES for 10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide is CC1CCNC2CCCCCCC2S1=O.
What is the InChIKey of 10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide?
The InChIKey is LHJFMQMZJSDZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10-8-9-13-11-6-4-2-3-5-7-12(11)15(10)14/h10-13H,2-9H2,1H3.
What are the key properties of 10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide?
10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide has a molecular weight of 229.39 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide is sourced from PubChem (CID 66224686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).