N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide

C13H28N2O3S — CID 64850583

IUPACN-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide
SMILESCC(C)COC1CC(NCCNS(C)(=O)=O)C1(C)C
InChIInChI=1S/C13H28N2O3S/c1-10(2)9-18-12-8-11(13(12,3)4)14-6-7-15-19(5,16)17/h10-12,14-15H,6-9H2,1-5H3
InChIKeyJBEHXNPJXYNTFT-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.96
Rot. Bonds8

About N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide

N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide (PubChem CID 64850583) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide
PubChem CID64850583
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide
SMILESCC(C)COC1CC(NCCNS(C)(=O)=O)C1(C)C
InChIInChI=1S/C13H28N2O3S/c1-10(2)9-18-12-8-11(13(12,3)4)14-6-7-15-19(5,16)17/h10-12,14-15H,6-9H2,1-5H3
InChIKeyJBEHXNPJXYNTFT-UHFFFAOYSA-N
XLogP0.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide (CID 64850583) is N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide is CC(C)COC1CC(NCCNS(C)(=O)=O)C1(C)C.
What is the InChIKey of N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide?
The InChIKey is JBEHXNPJXYNTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-10(2)9-18-12-8-11(13(12,3)4)14-6-7-15-19(5,16)17/h10-12,14-15H,6-9H2,1-5H3.
What are the key properties of N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide?
N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 64850583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).