N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide

C7H13NO3S — CID 171607632

IUPACN-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
SMILESCNS(=O)(=O)C1CC2CCC1O2
InChIInChI=1S/C7H13NO3S/c1-8-12(9,10)7-4-5-2-3-6(7)11-5/h5-8H,2-4H2,1H3
InChIKeyQIVUGNFBGVGOEU-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.14
Rot. Bonds2

About N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide

N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide (PubChem CID 171607632) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
PubChem CID171607632
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC NameN-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
SMILESCNS(=O)(=O)C1CC2CCC1O2
InChIInChI=1S/C7H13NO3S/c1-8-12(9,10)7-4-5-2-3-6(7)11-5/h5-8H,2-4H2,1H3
InChIKeyQIVUGNFBGVGOEU-UHFFFAOYSA-N
XLogP-0.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide?
The IUPAC name of N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide (CID 171607632) is N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide.
What is the SMILES notation for N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide?
The canonical SMILES for N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide is CNS(=O)(=O)C1CC2CCC1O2.
What is the InChIKey of N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide?
The InChIKey is QIVUGNFBGVGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-8-12(9,10)7-4-5-2-3-6(7)11-5/h5-8H,2-4H2,1H3.
What are the key properties of N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide?
N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide has a molecular weight of 191.25 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-oxabicyclo[2.2.1]heptane-2-sulfonamide is sourced from PubChem (CID 171607632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).