3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane

C12H17NO3S — CID 134086012

IUPAC3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(Cc1ccco1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H17NO3S/c14-17(15,8-11-2-1-5-16-11)12-6-9-3-4-10(7-12)13-9/h1-2,5,9-10,12-13H,3-4,6-8H2
InChIKeyNYWGOVFTFFGCSC-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.48
Rot. Bonds3

About 3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane

3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane (PubChem CID 134086012) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane
PubChem CID134086012
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(Cc1ccco1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H17NO3S/c14-17(15,8-11-2-1-5-16-11)12-6-9-3-4-10(7-12)13-9/h1-2,5,9-10,12-13H,3-4,6-8H2
InChIKeyNYWGOVFTFFGCSC-UHFFFAOYSA-N
XLogP1.48
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
CID 90590673
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612
1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590695
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590714
3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 112564732
3-ethylsulfonyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 72716338
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 90590567
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 79610300
1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine
CID 90594792
4-[3-(furan-2-ylmethylsulfonyl)azetidine-1-carbonyl]benzonitrile
CID 90594430
[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 97427527

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane (CID 134086012) is 3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane is O=S(=O)(Cc1ccco1)C1CC2CCC(C1)N2.
What is the InChIKey of 3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is NYWGOVFTFFGCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-17(15,8-11-2-1-5-16-11)12-6-9-3-4-10(7-12)13-9/h1-2,5,9-10,12-13H,3-4,6-8H2.
What are the key properties of 3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane?
3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 255.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 134086012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).