3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide

C11H24N2O3S — CID 64851155

IUPAC3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide
SMILESCCOC1CC(NCCCS(N)(=O)=O)C1(C)C
InChIInChI=1S/C11H24N2O3S/c1-4-16-10-8-9(11(10,2)3)13-6-5-7-17(12,14)15/h9-10,13H,4-8H2,1-3H3,(H2,12,14,15)
InChIKeyIZSBHWYUQGFOMQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.46
Rot. Bonds7

About 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide

3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide (PubChem CID 64851155) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide
PubChem CID64851155
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide
SMILESCCOC1CC(NCCCS(N)(=O)=O)C1(C)C
InChIInChI=1S/C11H24N2O3S/c1-4-16-10-8-9(11(10,2)3)13-6-5-7-17(12,14)15/h9-10,13H,4-8H2,1-3H3,(H2,12,14,15)
InChIKeyIZSBHWYUQGFOMQ-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.46
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 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide (CID 64851155) is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide is CCOC1CC(NCCCS(N)(=O)=O)C1(C)C.
What is the InChIKey of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide?
The InChIKey is IZSBHWYUQGFOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-16-10-8-9(11(10,2)3)13-6-5-7-17(12,14)15/h9-10,13H,4-8H2,1-3H3,(H2,12,14,15).
What are the key properties of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide?
3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide is sourced from PubChem (CID 64851155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).