1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide

C8H15NO3S — CID 130966059

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
SMILESCC(C1CC2CCC1O2)S(N)(=O)=O
InChIInChI=1S/C8H15NO3S/c1-5(13(9,10)11)7-4-6-2-3-8(7)12-6/h5-8H,2-4H2,1H3,(H2,9,10,11)
InChIKeyPXAVEFABONXUEI-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.23
Rot. Bonds2

About 1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide

1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide (PubChem CID 130966059) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
PubChem CID130966059
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
SMILESCC(C1CC2CCC1O2)S(N)(=O)=O
InChIInChI=1S/C8H15NO3S/c1-5(13(9,10)11)7-4-6-2-3-8(7)12-6/h5-8H,2-4H2,1H3,(H2,9,10,11)
InChIKeyPXAVEFABONXUEI-UHFFFAOYSA-N
XLogP0.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
CID 165445467
3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol
CID 127009318
1-amino-3-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]urea
CID 131123362
2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 79445783
(1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
CID 178194359
N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide
CID 80601899
(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
CID 59747310
[2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
CID 105221485
2-(1-bromoethyl)-8-oxabicyclo[3.2.1]octane
CID 131062722
[2-methoxy-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221731
N-ethyl-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine
CID 79179487
[2-cyclopropyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221479

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide (CID 130966059) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide is CC(C1CC2CCC1O2)S(N)(=O)=O.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide?
The InChIKey is PXAVEFABONXUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-5(13(9,10)11)7-4-6-2-3-8(7)12-6/h5-8H,2-4H2,1H3,(H2,9,10,11).
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide has a molecular weight of 205.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide is sourced from PubChem (CID 130966059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).