2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide

C10H20N2O3S — CID 64865048

IUPAC2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide
SMILESCC1(C)C(NCCS(N)(=O)=O)C2CCOC21
InChIInChI=1S/C10H20N2O3S/c1-10(2)8(7-3-5-15-9(7)10)12-4-6-16(11,13)14/h7-9,12H,3-6H2,1-2H3,(H2,11,13,14)
InChIKeyOXUXPSKXYIVJRJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.32
Rot. Bonds4

About 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide

2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide (PubChem CID 64865048) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide
PubChem CID64865048
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide
SMILESCC1(C)C(NCCS(N)(=O)=O)C2CCOC21
InChIInChI=1S/C10H20N2O3S/c1-10(2)8(7-3-5-15-9(7)10)12-4-6-16(11,13)14/h7-9,12H,3-6H2,1-2H3,(H2,11,13,14)
InChIKeyOXUXPSKXYIVJRJ-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide (CID 64865048) is 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide is CC1(C)C(NCCS(N)(=O)=O)C2CCOC21.
What is the InChIKey of 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide?
The InChIKey is OXUXPSKXYIVJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2)8(7-3-5-15-9(7)10)12-4-6-16(11,13)14/h7-9,12H,3-6H2,1-2H3,(H2,11,13,14).
What are the key properties of 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide?
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide is sourced from PubChem (CID 64865048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).