N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide

C9H18BrNO4S2 — CID 102873556

IUPACN-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCBr)C1CCC1
InChIInChI=1S/C9H18BrNO4S2/c1-16(12,13)7-8-17(14,15)11(6-5-10)9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyQFIMGIUROFFSPF-UHFFFAOYSA-N
MW348.28 g/mol
LogP0.61
Rot. Bonds7

About N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide

N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide (PubChem CID 102873556) has the molecular formula C9H18BrNO4S2 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
PubChem CID102873556
Molecular FormulaC9H18BrNO4S2
Molecular Weight348.28 g/mol
Exact Mass346.99
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCBr)C1CCC1
InChIInChI=1S/C9H18BrNO4S2/c1-16(12,13)7-8-17(14,15)11(6-5-10)9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyQFIMGIUROFFSPF-UHFFFAOYSA-N
XLogP0.61
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide
CID 80668325
N-(2-bromoethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide
CID 80668642
N-(2-bromoethyl)-N-butyl-2-methylsulfonylethanesulfonamide
CID 80669037
N-(2-bromoethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 80669951
N-(2-bromoethyl)-2-methylsulfonyl-N-propan-2-ylethanesulfonamide
CID 80671716
N-(2-bromoethyl)-2-methylsulfonyl-N-propylethanesulfonamide
CID 80672075
N-(3-bromopropyl)-2-methylsulfonyl-N-propan-2-ylethanesulfonamide
CID 80673479
N-(2-bromoethyl)-2-methylsulfonyl-N-pentan-3-ylethanesulfonamide
CID 80673720
1-bromo-N-butyl-N-(1,1-dioxothiolan-3-yl)methanesulfonamide
CID 83083821
N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine
CID 102860067
N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine
CID 102860240
N-(3-bromopropyl)-N-(3-ethylsulfonylpropyl)cyclobutanamine
CID 102860254

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide (CID 102873556) is N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide?
The InChIKey is QFIMGIUROFFSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO4S2/c1-16(12,13)7-8-17(14,15)11(6-5-10)9-3-2-4-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide?
N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide has a molecular weight of 348.28 g/mol, XLogP of 0.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 102873556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).