N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide

C14H30N2O3S — CID 64851926

IUPACN-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCOC1CC(NCCCN(CC)S(C)(=O)=O)C1(C)C
InChIInChI=1S/C14H30N2O3S/c1-6-16(20(5,17)18)10-8-9-15-12-11-13(19-7-2)14(12,3)4/h12-13,15H,6-11H2,1-5H3
InChIKeySRNPQJGOJAKHTC-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.45
Rot. Bonds9

About N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide

N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide (PubChem CID 64851926) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide
PubChem CID64851926
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC NameN-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCOC1CC(NCCCN(CC)S(C)(=O)=O)C1(C)C
InChIInChI=1S/C14H30N2O3S/c1-6-16(20(5,17)18)10-8-9-15-12-11-13(19-7-2)14(12,3)4/h12-13,15H,6-11H2,1-5H3
InChIKeySRNPQJGOJAKHTC-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
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-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide (CID 64851926) is N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide is CCOC1CC(NCCCN(CC)S(C)(=O)=O)C1(C)C.
What is the InChIKey of N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide?
The InChIKey is SRNPQJGOJAKHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-6-16(20(5,17)18)10-8-9-15-12-11-13(19-7-2)14(12,3)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide?
N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide has a molecular weight of 306.47 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 64851926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).