2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide

C12H24N2O3S — CID 102676232

IUPAC2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C12H24N2O3S/c1-12(2)10(9-5-4-7-17-11(9)12)14-6-8-18(15,16)13-3/h9-11,13-14H,4-8H2,1-3H3
InChIKeyGQXODMSDSXOWTK-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.33
Rot. Bonds5

About 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide

2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide (PubChem CID 102676232) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide
PubChem CID102676232
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C12H24N2O3S/c1-12(2)10(9-5-4-7-17-11(9)12)14-6-8-18(15,16)13-3/h9-11,13-14H,4-8H2,1-3H3
InChIKeyGQXODMSDSXOWTK-UHFFFAOYSA-N
XLogP0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide
CID 75472026
N-(2-ethylsulfonylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113352100
N-(cyclobutylmethyl)-2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]ethanesulfonamide
CID 129445813
3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-dimethylpropanamide
CID 64864982
N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine
CID 64865191
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-dimethylbutane-1,4-diamine
CID 64864993
8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 79352806
8,8-dimethyl-N-(2-phenylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863596
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide
CID 112568428
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 64864800

Frequently Asked Questions

What is the IUPAC name of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide (CID 102676232) is 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNC1C2CCCOC2C1(C)C.
What is the InChIKey of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide?
The InChIKey is GQXODMSDSXOWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-12(2)10(9-5-4-7-17-11(9)12)14-6-8-18(15,16)13-3/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide?
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 102676232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).