9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane

C10H19NS — CID 58961011

IUPAC9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane
SMILESCC(C)N1C2CCCC1CSC2
InChIInChI=1S/C10H19NS/c1-8(2)11-9-4-3-5-10(11)7-12-6-9/h8-10H,3-7H2,1-2H3
InChIKeyBJIJSPIQBDJQAX-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.36
Rot. Bonds1

About 9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane

9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane (PubChem CID 58961011) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane
PubChem CID58961011
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane
SMILESCC(C)N1C2CCCC1CSC2
InChIInChI=1S/C10H19NS/c1-8(2)11-9-4-3-5-10(11)7-12-6-9/h8-10H,3-7H2,1-2H3
InChIKeyBJIJSPIQBDJQAX-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane (CID 58961011) is 9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane is CC(C)N1C2CCCC1CSC2.
What is the InChIKey of 9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane?
The InChIKey is BJIJSPIQBDJQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)11-9-4-3-5-10(11)7-12-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane?
9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane has a molecular weight of 185.34 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 58961011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).