9-methyl-3-thia-9-azabicyclo[3.3.1]nonane

C8H15NS — CID 19960447

IUPAC9-methyl-3-thia-9-azabicyclo[3.3.1]nonane
SMILESCN1C2CCCC1CSC2
InChIInChI=1S/C8H15NS/c1-9-7-3-2-4-8(9)6-10-5-7/h7-8H,2-6H2,1H3
InChIKeyGHMKLLCJSIOPDO-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.59
Rot. Bonds

About 9-methyl-3-thia-9-azabicyclo[3.3.1]nonane

9-methyl-3-thia-9-azabicyclo[3.3.1]nonane (PubChem CID 19960447) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 9-methyl-3-thia-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-3-thia-9-azabicyclo[3.3.1]nonane
PubChem CID19960447
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name9-methyl-3-thia-9-azabicyclo[3.3.1]nonane
SMILESCN1C2CCCC1CSC2
InChIInChI=1S/C8H15NS/c1-9-7-3-2-4-8(9)6-10-5-7/h7-8H,2-6H2,1H3
InChIKeyGHMKLLCJSIOPDO-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-thia-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-3-thia-9-azabicyclo[3.3.1]nonane (CID 19960447) is 9-methyl-3-thia-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-3-thia-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-3-thia-9-azabicyclo[3.3.1]nonane is CN1C2CCCC1CSC2.
What is the InChIKey of 9-methyl-3-thia-9-azabicyclo[3.3.1]nonane?
The InChIKey is GHMKLLCJSIOPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-7-3-2-4-8(9)6-10-5-7/h7-8H,2-6H2,1H3.
What are the key properties of 9-methyl-3-thia-9-azabicyclo[3.3.1]nonane?
9-methyl-3-thia-9-azabicyclo[3.3.1]nonane has a molecular weight of 157.28 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-thia-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 19960447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).