1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane

C12H17NS — CID 143087848

IUPAC1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESc1csc(CC23CCCC(CC2)N3)c1
InChIInChI=1S/C12H17NS/c1-3-10-5-7-12(6-1,13-10)9-11-4-2-8-14-11/h2,4,8,10,13H,1,3,5-7,9H2
InChIKeyIZCAPSXMYYNESG-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.97
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane

1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 143087848) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane
PubChem CID143087848
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESc1csc(CC23CCCC(CC2)N3)c1
InChIInChI=1S/C12H17NS/c1-3-10-5-7-12(6-1,13-10)9-11-4-2-8-14-11/h2,4,8,10,13H,1,3,5-7,9H2
InChIKeyIZCAPSXMYYNESG-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
CID 66036450
4-propyl-1-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65086743
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
CID 107179308
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179421
2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228639
2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
CID 66468514
3-fluoro-3-(thiophen-2-ylmethyl)piperidine
CID 83819153
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane (CID 143087848) is 1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane is c1csc(CC23CCCC(CC2)N3)c1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is IZCAPSXMYYNESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-3-10-5-7-12(6-1,13-10)9-11-4-2-8-14-11/h2,4,8,10,13H,1,3,5-7,9H2.
What are the key properties of 1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 207.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 143087848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).