N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide

C9H17NO3S — CID 80601899

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C9H17NO3S/c1-6(2)14(11,12)10-8-5-7-3-4-9(8)13-7/h6-10H,3-5H2,1-2H3
InChIKeyCZEIZLGRKCFABE-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.63
Rot. Bonds3

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide

N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide (PubChem CID 80601899) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide
PubChem CID80601899
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C9H17NO3S/c1-6(2)14(11,12)10-8-5-7-3-4-9(8)13-7/h6-10H,3-5H2,1-2H3
InChIKeyCZEIZLGRKCFABE-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide (CID 80601899) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide?
The InChIKey is CZEIZLGRKCFABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-6(2)14(11,12)10-8-5-7-3-4-9(8)13-7/h6-10H,3-5H2,1-2H3.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide has a molecular weight of 219.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 80601899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).