N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C13H26N2O3S — CID 64862962

IUPACN-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1C2CCOC2C1(C)C)NS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-12(2,15-19(5,16)17)8-14-10-9-6-7-18-11(9)13(10,3)4/h9-11,14-15H,6-8H2,1-5H3
InChIKeyMGCGDZGJLAOJNO-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.72
Rot. Bonds5

About N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 64862962) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID64862962
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1C2CCOC2C1(C)C)NS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-12(2,15-19(5,16)17)8-14-10-9-6-7-18-11(9)13(10,3)4/h9-11,14-15H,6-8H2,1-5H3
InChIKeyMGCGDZGJLAOJNO-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 64850570
N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide
CID 64850583
N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 64850603
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine
CID 64862921
N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine
CID 64862941
N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]methanesulfonamide
CID 64863095
7,7-dimethyl-N-(2-methylsulfonylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863329
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine
CID 64864069
N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide
CID 64864071
2-[(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethanesulfonamide
CID 64865048
N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 64865234
7,7-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865285

Frequently Asked Questions

What is the IUPAC name of N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 64862962) is N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNC1C2CCOC2C1(C)C)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is MGCGDZGJLAOJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-12(2,15-19(5,16)17)8-14-10-9-6-7-18-11(9)13(10,3)4/h9-11,14-15H,6-8H2,1-5H3.
What are the key properties of N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 64862962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).