4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane

C11H21NS — CID 66226615

IUPAC4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane
SMILESCC1CNC2CCCCCC2SC1
InChIInChI=1S/C11H21NS/c1-9-7-12-10-5-3-2-4-6-11(10)13-8-9/h9-12H,2-8H2,1H3
InChIKeyNGLSCLGFDXTMTQ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds

About 4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane

4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane (PubChem CID 66226615) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane.

Molecular Properties

Compound Name4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane
PubChem CID66226615
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane
SMILESCC1CNC2CCCCCC2SC1
InChIInChI=1S/C11H21NS/c1-9-7-12-10-5-3-2-4-6-11(10)13-8-9/h9-12H,2-8H2,1H3
InChIKeyNGLSCLGFDXTMTQ-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane?
The IUPAC name of 4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane (CID 66226615) is 4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane.
What is the SMILES notation for 4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane?
The canonical SMILES for 4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane is CC1CNC2CCCCCC2SC1.
What is the InChIKey of 4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane?
The InChIKey is NGLSCLGFDXTMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9-7-12-10-5-3-2-4-6-11(10)13-8-9/h9-12H,2-8H2,1H3.
What are the key properties of 4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane?
4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane has a molecular weight of 199.36 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thia-6-azabicyclo[5.5.0]dodecane is sourced from PubChem (CID 66226615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).