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

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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).