2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide

C12H26N2O3S — CID 64850980

IUPAC2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide
SMILESCC(C)COC1CC(NCCS(N)(=O)=O)C1(C)C
InChIInChI=1S/C12H26N2O3S/c1-9(2)8-17-11-7-10(12(11,3)4)14-5-6-18(13,15)16/h9-11,14H,5-8H2,1-4H3,(H2,13,15,16)
InChIKeyRYBCMOSGYITIBR-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.70
Rot. Bonds7

About 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide

2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide (PubChem CID 64850980) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide
PubChem CID64850980
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide
SMILESCC(C)COC1CC(NCCS(N)(=O)=O)C1(C)C
InChIInChI=1S/C12H26N2O3S/c1-9(2)8-17-11-7-10(12(11,3)4)14-5-6-18(13,15)16/h9-11,14H,5-8H2,1-4H3,(H2,13,15,16)
InChIKeyRYBCMOSGYITIBR-UHFFFAOYSA-N
XLogP0.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide?
The IUPAC name of 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide (CID 64850980) is 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide is CC(C)COC1CC(NCCS(N)(=O)=O)C1(C)C.
What is the InChIKey of 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide?
The InChIKey is RYBCMOSGYITIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-9(2)8-17-11-7-10(12(11,3)4)14-5-6-18(13,15)16/h9-11,14H,5-8H2,1-4H3,(H2,13,15,16).
What are the key properties of 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide?
2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide is sourced from PubChem (CID 64850980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).