2-thia-7-azabicyclo[3.3.2]decane

C8H15NS — CID 118210123

IUPAC2-thia-7-azabicyclo[3.3.2]decane
SMILESC1CC2CCC(CNC2)S1
InChIInChI=1S/C8H15NS/c1-2-8-6-9-5-7(1)3-4-10-8/h7-9H,1-6H2
InChIKeyKDAHWMFQGFKAPT-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds

About 2-thia-7-azabicyclo[3.3.2]decane

2-thia-7-azabicyclo[3.3.2]decane (PubChem CID 118210123) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-thia-7-azabicyclo[3.3.2]decane.

Molecular Properties

Compound Name2-thia-7-azabicyclo[3.3.2]decane
PubChem CID118210123
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-thia-7-azabicyclo[3.3.2]decane
SMILESC1CC2CCC(CNC2)S1
InChIInChI=1S/C8H15NS/c1-2-8-6-9-5-7(1)3-4-10-8/h7-9H,1-6H2
InChIKeyKDAHWMFQGFKAPT-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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Related Compounds

3-azabicyclo[3.2.2]nonane
CID 9240
2-oxa-7-azabicyclo[3.3.2]decane
CID 118209690
2-azabicyclo[2.2.2]octane;ethane
CID 176988087
3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
3-azabicyclo[3.2.2]nonan-6-ol
CID 58023136
7-thiabicyclo[4.2.2]decane
CID 118210351
3-azabicyclo[6.6.6]icosane
CID 91578749
7-azabicyclo[4.2.2]decane
CID 18518507
(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
2,5-dithiabicyclo[2.2.2]octane
CID 175742422
1,4-diazabicyclo[4.2.2]decane
CID 19908218
bicyclo[2.2.2]octane
CID 9235

Frequently Asked Questions

What is the IUPAC name of 2-thia-7-azabicyclo[3.3.2]decane?
The IUPAC name of 2-thia-7-azabicyclo[3.3.2]decane (CID 118210123) is 2-thia-7-azabicyclo[3.3.2]decane.
What is the SMILES notation for 2-thia-7-azabicyclo[3.3.2]decane?
The canonical SMILES for 2-thia-7-azabicyclo[3.3.2]decane is C1CC2CCC(CNC2)S1.
What is the InChIKey of 2-thia-7-azabicyclo[3.3.2]decane?
The InChIKey is KDAHWMFQGFKAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-8-6-9-5-7(1)3-4-10-8/h7-9H,1-6H2.
What are the key properties of 2-thia-7-azabicyclo[3.3.2]decane?
2-thia-7-azabicyclo[3.3.2]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 2-thia-7-azabicyclo[3.3.2]decane is sourced from PubChem (CID 118210123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).