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

C9H17NO3S — CID 165445467

IUPACN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
SMILESCNS(=O)(=O)C(C)C1CC2CCC1O2
InChIInChI=1S/C9H17NO3S/c1-6(14(11,12)10-2)8-5-7-3-4-9(8)13-7/h6-10H,3-5H2,1-2H3
InChIKeyFHMKHCOZQKVLSI-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.49
Rot. Bonds3

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

N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide (PubChem CID 165445467) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
PubChem CID165445467
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
SMILESCNS(=O)(=O)C(C)C1CC2CCC1O2
InChIInChI=1S/C9H17NO3S/c1-6(14(11,12)10-2)8-5-7-3-4-9(8)13-7/h6-10H,3-5H2,1-2H3
InChIKeyFHMKHCOZQKVLSI-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide?
The IUPAC name of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide (CID 165445467) is N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide?
The canonical SMILES for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide is CNS(=O)(=O)C(C)C1CC2CCC1O2.
What is the InChIKey of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide?
The InChIKey is FHMKHCOZQKVLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-6(14(11,12)10-2)8-5-7-3-4-9(8)13-7/h6-10H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide?
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide has a molecular weight of 219.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide is sourced from PubChem (CID 165445467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).