2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide

C11H21NO3S — CID 136540381

IUPAC2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H21NO3S/c1-11(2,3)7-16(13,14)12-9-6-8-4-5-10(9)15-8/h8-10,12H,4-7H2,1-3H3
InChIKeyZYJNUUIHCMZSCD-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.27
Rot. Bonds3

About 2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide

2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide (PubChem CID 136540381) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide
PubChem CID136540381
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H21NO3S/c1-11(2,3)7-16(13,14)12-9-6-8-4-5-10(9)15-8/h8-10,12H,4-7H2,1-3H3
InChIKeyZYJNUUIHCMZSCD-UHFFFAOYSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide (CID 136540381) is 2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NC1CC2CCC1O2.
What is the InChIKey of 2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide?
The InChIKey is ZYJNUUIHCMZSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2,3)7-16(13,14)12-9-6-8-4-5-10(9)15-8/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide?
2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide has a molecular weight of 247.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 136540381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).