N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide

C11H20N2O4S — CID 113422273

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1C(N)C2CCCOC21)S(C)(=O)=O
InChIInChI=1S/C11H20N2O4S/c1-6(18(2,15)16)11(14)13-9-8(12)7-4-3-5-17-10(7)9/h6-10H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyUVOSCQFPADXYED-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.96
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide (PubChem CID 113422273) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide
PubChem CID113422273
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1C(N)C2CCCOC21)S(C)(=O)=O
InChIInChI=1S/C11H20N2O4S/c1-6(18(2,15)16)11(14)13-9-8(12)7-4-3-5-17-10(7)9/h6-10H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyUVOSCQFPADXYED-UHFFFAOYSA-N
XLogP-0.96
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide (CID 113422273) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide is CC(C(=O)NC1C(N)C2CCCOC21)S(C)(=O)=O.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide?
The InChIKey is UVOSCQFPADXYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-6(18(2,15)16)11(14)13-9-8(12)7-4-3-5-17-10(7)9/h6-10H,3-5,12H2,1-2H3,(H,13,14).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide has a molecular weight of 276.36 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 113422273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).