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

C11H23NS — CID 167502879

IUPACethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane
SMILESCC.CCN1CC2CSCC(C2)C1
InChIInChI=1S/C9H17NS.C2H6/c1-2-10-4-8-3-9(5-10)7-11-6-8;1-2/h8-9H,2-7H2,1H3;1-2H3
InChIKeyAHSCOECCIFIVCH-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.72
Rot. Bonds1

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

ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane (PubChem CID 167502879) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Nameethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane
PubChem CID167502879
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Nameethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane
SMILESCC.CCN1CC2CSCC(C2)C1
InChIInChI=1S/C9H17NS.C2H6/c1-2-10-4-8-3-9(5-10)7-11-6-8;1-2/h8-9H,2-7H2,1H3;1-2H3
InChIKeyAHSCOECCIFIVCH-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane?
The IUPAC name of ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane (CID 167502879) is ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane is CC.CCN1CC2CSCC(C2)C1.
What is the InChIKey of ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane?
The InChIKey is AHSCOECCIFIVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS.C2H6/c1-2-10-4-8-3-9(5-10)7-11-6-8;1-2/h8-9H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane?
ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane has a molecular weight of 201.38 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-3-thia-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 167502879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).