ethane;3-thia-7-azabicyclo[3.3.1]nonane

C9H19NS — CID 167500782

IUPACethane;3-thia-7-azabicyclo[3.3.1]nonane
SMILESC1NCC2CSCC1C2.CC
InChIInChI=1S/C7H13NS.C2H6/c1-6-2-8-3-7(1)5-9-4-6;1-2/h6-8H,1-5H2;1-2H3
InChIKeyRDUFZXTZIAIPOV-UHFFFAOYSA-N
MW173.32 g/mol
LogP1.99
Rot. Bonds

About ethane;3-thia-7-azabicyclo[3.3.1]nonane

ethane;3-thia-7-azabicyclo[3.3.1]nonane (PubChem CID 167500782) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is ethane;3-thia-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Nameethane;3-thia-7-azabicyclo[3.3.1]nonane
PubChem CID167500782
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Nameethane;3-thia-7-azabicyclo[3.3.1]nonane
SMILESC1NCC2CSCC1C2.CC
InChIInChI=1S/C7H13NS.C2H6/c1-6-2-8-3-7(1)5-9-4-6;1-2/h6-8H,1-5H2;1-2H3
InChIKeyRDUFZXTZIAIPOV-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-thia-7-azabicyclo[3.3.1]nonane?
The IUPAC name of ethane;3-thia-7-azabicyclo[3.3.1]nonane (CID 167500782) is ethane;3-thia-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for ethane;3-thia-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for ethane;3-thia-7-azabicyclo[3.3.1]nonane is C1NCC2CSCC1C2.CC.
What is the InChIKey of ethane;3-thia-7-azabicyclo[3.3.1]nonane?
The InChIKey is RDUFZXTZIAIPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS.C2H6/c1-6-2-8-3-7(1)5-9-4-6;1-2/h6-8H,1-5H2;1-2H3.
What are the key properties of ethane;3-thia-7-azabicyclo[3.3.1]nonane?
ethane;3-thia-7-azabicyclo[3.3.1]nonane has a molecular weight of 173.32 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-thia-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 167500782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).