(1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane

C10H19NS — CID 143955650

IUPAC(1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCCSC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C10H19NS/c1-3-12-10-6-8-4-5-9(7-10)11(8)2/h8-10H,3-7H2,1-2H3/t8-,9+,10?
InChIKeyGYQUXAPSSSPGCH-ULKQDVFKSA-N
MW185.34 g/mol
LogP2.36
Rot. Bonds2

About (1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane

(1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 143955650) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID143955650
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCCSC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C10H19NS/c1-3-12-10-6-8-4-5-9(7-10)11(8)2/h8-10H,3-7H2,1-2H3/t8-,9+,10?
InChIKeyGYQUXAPSSSPGCH-ULKQDVFKSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane (CID 143955650) is (1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane is CCSC1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of (1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is GYQUXAPSSSPGCH-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-12-10-6-8-4-5-9(7-10)11(8)2/h8-10H,3-7H2,1-2H3/t8-,9+,10?.
What are the key properties of (1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 185.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-ethylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 143955650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).