N-(2-bromoethyl)-N-cyclopropylethanesulfonamide

C7H14BrNO2S — CID 80667041

IUPACN-(2-bromoethyl)-N-cyclopropylethanesulfonamide
SMILESCCS(=O)(=O)N(CCBr)C1CC1
InChIInChI=1S/C7H14BrNO2S/c1-2-12(10,11)9(6-5-8)7-3-4-7/h7H,2-6H2,1H3
InChIKeyOUKYFPWSWVTVSU-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.20
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclopropylethanesulfonamide

N-(2-bromoethyl)-N-cyclopropylethanesulfonamide (PubChem CID 80667041) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropylethanesulfonamide
PubChem CID80667041
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC NameN-(2-bromoethyl)-N-cyclopropylethanesulfonamide
SMILESCCS(=O)(=O)N(CCBr)C1CC1
InChIInChI=1S/C7H14BrNO2S/c1-2-12(10,11)9(6-5-8)7-3-4-7/h7H,2-6H2,1H3
InChIKeyOUKYFPWSWVTVSU-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide
CID 80668009
N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
CID 80667163
N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
CID 102873556
N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
CID 102873497
N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873337
N-(2-aminoethyl)-N-cyclobutylethanesulfonamide
CID 102874418
N-cyclopropyl-N-(cyclopropylmethyl)ethanesulfonamide
CID 63103163
N-(2-bromoethyl)-N-cyclopropyl-4-propylbenzenesulfonamide
CID 80668225
N-(2-bromoethyl)-N-cyclopropylcyclohexanesulfonamide
CID 80667906
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide
CID 102873490

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropylethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropylethanesulfonamide (CID 80667041) is N-(2-bromoethyl)-N-cyclopropylethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropylethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropylethanesulfonamide is CCS(=O)(=O)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropylethanesulfonamide?
The InChIKey is OUKYFPWSWVTVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c1-2-12(10,11)9(6-5-8)7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropylethanesulfonamide?
N-(2-bromoethyl)-N-cyclopropylethanesulfonamide has a molecular weight of 256.16 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropylethanesulfonamide is sourced from PubChem (CID 80667041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).