N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide

C11H22BrNO3S — CID 102873490

IUPACN-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCBr)C1CCC1
InChIInChI=1S/C11H22BrNO3S/c1-10(2)16-8-9-17(14,15)13(7-6-12)11-4-3-5-11/h10-11H,3-9H2,1-2H3
InChIKeyULLHIAHNUMRTJD-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.99
Rot. Bonds8

About N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide

N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide (PubChem CID 102873490) has the molecular formula C11H22BrNO3S and a molecular weight of 328.27 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide
PubChem CID102873490
Molecular FormulaC11H22BrNO3S
Molecular Weight328.27 g/mol
Exact Mass327.05
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCBr)C1CCC1
InChIInChI=1S/C11H22BrNO3S/c1-10(2)16-8-9-17(14,15)13(7-6-12)11-4-3-5-11/h10-11H,3-9H2,1-2H3
InChIKeyULLHIAHNUMRTJD-UHFFFAOYSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide (CID 102873490) is N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is ULLHIAHNUMRTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3S/c1-10(2)16-8-9-17(14,15)13(7-6-12)11-4-3-5-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide?
N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 328.27 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 102873490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).