3-thia-9-azabicyclo[5.2.1]decane

C8H15NS — CID 118210544

IUPAC3-thia-9-azabicyclo[5.2.1]decane
SMILESC1CSCC2CC(C1)CN2
InChIInChI=1S/C8H15NS/c1-2-7-4-8(9-5-7)6-10-3-1/h7-9H,1-6H2
InChIKeyPYHIFIGNZYETOY-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds

About 3-thia-9-azabicyclo[5.2.1]decane

3-thia-9-azabicyclo[5.2.1]decane (PubChem CID 118210544) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-thia-9-azabicyclo[5.2.1]decane.

Molecular Properties

Compound Name3-thia-9-azabicyclo[5.2.1]decane
PubChem CID118210544
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-thia-9-azabicyclo[5.2.1]decane
SMILESC1CSCC2CC(C1)CN2
InChIInChI=1S/C8H15NS/c1-2-7-4-8(9-5-7)6-10-3-1/h7-9H,1-6H2
InChIKeyPYHIFIGNZYETOY-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thia-9-azabicyclo[5.2.1]decane?
The IUPAC name of 3-thia-9-azabicyclo[5.2.1]decane (CID 118210544) is 3-thia-9-azabicyclo[5.2.1]decane.
What is the SMILES notation for 3-thia-9-azabicyclo[5.2.1]decane?
The canonical SMILES for 3-thia-9-azabicyclo[5.2.1]decane is C1CSCC2CC(C1)CN2.
What is the InChIKey of 3-thia-9-azabicyclo[5.2.1]decane?
The InChIKey is PYHIFIGNZYETOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-7-4-8(9-5-7)6-10-3-1/h7-9H,1-6H2.
What are the key properties of 3-thia-9-azabicyclo[5.2.1]decane?
3-thia-9-azabicyclo[5.2.1]decane has a molecular weight of 157.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thia-9-azabicyclo[5.2.1]decane is sourced from PubChem (CID 118210544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).