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

C15H30N2O3S — CID 75472026

IUPAC2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H30N2O3S/c1-5-17(6-2)21(18,19)11-9-16-13-12-8-7-10-20-14(12)15(13,3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyJIVDOSXSPLCHHY-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.45
Rot. Bonds7

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

2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide (PubChem CID 75472026) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide.

Molecular Properties

Compound Name2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide
PubChem CID75472026
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H30N2O3S/c1-5-17(6-2)21(18,19)11-9-16-13-12-8-7-10-20-14(12)15(13,3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyJIVDOSXSPLCHHY-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide
CID 102676232
N-(2-ethylsulfonylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113352100
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
N-(cyclobutylmethyl)-2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]ethanesulfonamide
CID 129445813
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 79352806
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 64864800
8,8-dimethyl-N-(2-phenylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863596
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 64871843
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(1R,6S,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]urea
CID 124865808

Frequently Asked Questions

What is the IUPAC name of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide?
The IUPAC name of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide (CID 75472026) is 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide.
What is the SMILES notation for 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide?
The canonical SMILES for 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide is CCN(CC)S(=O)(=O)CCNC1C2CCCOC2C1(C)C.
What is the InChIKey of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide?
The InChIKey is JIVDOSXSPLCHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-5-17(6-2)21(18,19)11-9-16-13-12-8-7-10-20-14(12)15(13,3)4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide?
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 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,N-diethylethanesulfonamide is sourced from PubChem (CID 75472026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).