8-thiophen-2-yl-8-azabicyclo[3.2.1]octane

C11H15NS — CID 89065677

IUPAC8-thiophen-2-yl-8-azabicyclo[3.2.1]octane
SMILESc1csc(N2C3CCCC2CC3)c1
InChIInChI=1S/C11H15NS/c1-3-9-6-7-10(4-1)12(9)11-5-2-8-13-11/h2,5,8-10H,1,3-4,6-7H2
InChIKeyNNLONAMSMWOUKQ-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.27
Rot. Bonds1

About 8-thiophen-2-yl-8-azabicyclo[3.2.1]octane

8-thiophen-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 89065677) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 8-thiophen-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-thiophen-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID89065677
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name8-thiophen-2-yl-8-azabicyclo[3.2.1]octane
SMILESc1csc(N2C3CCCC2CC3)c1
InChIInChI=1S/C11H15NS/c1-3-9-6-7-10(4-1)12(9)11-5-2-8-13-11/h2,5,8-10H,1,3-4,6-7H2
InChIKeyNNLONAMSMWOUKQ-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-thiophen-2-ylpyrrolidin-3-amine
CID 62068388
3-cyclopentyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243098
2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidine
CID 138708345
3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one
CID 70978151
8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane
CID 22337597
3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83244118
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(1-thiophen-2-ylpiperidin-4-yl)urea
CID 167907703
1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine
CID 20575168
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9008862
3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242357
(4Z)-1-cyclopentyl-4-[hydroxy-(4-methylphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108624623

Frequently Asked Questions

What is the IUPAC name of 8-thiophen-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-thiophen-2-yl-8-azabicyclo[3.2.1]octane (CID 89065677) is 8-thiophen-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-thiophen-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-thiophen-2-yl-8-azabicyclo[3.2.1]octane is c1csc(N2C3CCCC2CC3)c1.
What is the InChIKey of 8-thiophen-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is NNLONAMSMWOUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-9-6-7-10(4-1)12(9)11-5-2-8-13-11/h2,5,8-10H,1,3-4,6-7H2.
What are the key properties of 8-thiophen-2-yl-8-azabicyclo[3.2.1]octane?
8-thiophen-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 193.31 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thiophen-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 89065677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).