N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide

C7H14BrNO2S — CID 102873497

IUPACN-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
SMILESCS(=O)(=O)N(CCBr)C1CCC1
InChIInChI=1S/C7H14BrNO2S/c1-12(10,11)9(6-5-8)7-3-2-4-7/h7H,2-6H2,1H3
InChIKeyINUFQZNPGOFLRA-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.20
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide

N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide (PubChem CID 102873497) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
PubChem CID102873497
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC NameN-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
SMILESCS(=O)(=O)N(CCBr)C1CCC1
InChIInChI=1S/C7H14BrNO2S/c1-12(10,11)9(6-5-8)7-3-2-4-7/h7H,2-6H2,1H3
InChIKeyINUFQZNPGOFLRA-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
CID 102873556
N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
CID 63396860
N-(2-bromoethyl)-N-cyclopropylethanesulfonamide
CID 80667041
N-cyclopentyl-N-ethylmethanesulfonamide
CID 58540435
N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide
CID 102873540
N-(2-bromoethyl)-N-cyclopropylcyclohexanesulfonamide
CID 80667906
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide
CID 102873505
N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide
CID 102873490
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide (CID 102873497) is N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide is CS(=O)(=O)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide?
The InChIKey is INUFQZNPGOFLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c1-12(10,11)9(6-5-8)7-3-2-4-7/h7H,2-6H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide?
N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide has a molecular weight of 256.16 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide is sourced from PubChem (CID 102873497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).