(1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane

C10H19NS — CID 98116343

IUPAC(1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane
SMILESCC(C)SC1C[C@@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H19NS/c1-7(2)12-10-5-8-3-4-9(6-10)11-8/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyFLBZAJHFAWYGCL-IUCAKERBSA-N
MW185.34 g/mol
LogP2.41
Rot. Bonds2

About (1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane

(1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane (PubChem CID 98116343) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane
PubChem CID98116343
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane
SMILESCC(C)SC1C[C@@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H19NS/c1-7(2)12-10-5-8-3-4-9(6-10)11-8/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyFLBZAJHFAWYGCL-IUCAKERBSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane (CID 98116343) is (1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane is CC(C)SC1C[C@@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane?
The InChIKey is FLBZAJHFAWYGCL-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NS/c1-7(2)12-10-5-8-3-4-9(6-10)11-8/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane?
(1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane has a molecular weight of 185.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 98116343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).