8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane

C10H19NS — CID 177032468

IUPAC8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane
SMILESCCSC1C2CCC1CN(C)C2
InChIInChI=1S/C10H19NS/c1-3-12-10-8-4-5-9(10)7-11(2)6-8/h8-10H,3-7H2,1-2H3
InChIKeyFQNZMDXYOIGYAH-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.08
Rot. Bonds2

About 8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane

8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane (PubChem CID 177032468) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane
PubChem CID177032468
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane
SMILESCCSC1C2CCC1CN(C)C2
InChIInChI=1S/C10H19NS/c1-3-12-10-8-4-5-9(10)7-11(2)6-8/h8-10H,3-7H2,1-2H3
InChIKeyFQNZMDXYOIGYAH-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272
ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 177136991
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086
ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
CID 170581839
acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 143016565
4-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 154980100
(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 15758755
N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 134400309
(3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134400253

Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane (CID 177032468) is 8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane is CCSC1C2CCC1CN(C)C2.
What is the InChIKey of 8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane?
The InChIKey is FQNZMDXYOIGYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-12-10-8-4-5-9(10)7-11(2)6-8/h8-10H,3-7H2,1-2H3.
What are the key properties of 8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane?
8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane has a molecular weight of 185.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 177032468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).