1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide

C6H12BrNO2S — CID 83085587

IUPAC1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(CC)S(=O)(=O)CBr
InChIInChI=1S/C6H12BrNO2S/c1-3-5-8(4-2)11(9,10)6-7/h3H,1,4-6H2,2H3
InChIKeySTDNIVOHPVHLKK-UHFFFAOYSA-N
MW242.14 g/mol
LogP1.18
Rot. Bonds5

About 1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide

1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide (PubChem CID 83085587) has the molecular formula C6H12BrNO2S and a molecular weight of 242.14 g/mol. Its IUPAC name is 1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide
PubChem CID83085587
Molecular FormulaC6H12BrNO2S
Molecular Weight242.14 g/mol
Exact Mass240.98
IUPAC Name1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(CC)S(=O)(=O)CBr
InChIInChI=1S/C6H12BrNO2S/c1-3-5-8(4-2)11(9,10)6-7/h3H,1,4-6H2,2H3
InChIKeySTDNIVOHPVHLKK-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-but-3-enyl-N-prop-2-enylmethanesulfonamide
CID 11737238
1-bromo-N-tert-butyl-N-prop-2-enylmethanesulfonamide
CID 83085782
1-bromo-N-[3-(dimethylamino)propyl]-N-ethylmethanesulfonamide
CID 102995887
N,N-bis(prop-2-enyl)octane-1-sulfonamide
CID 88561748
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
N-ethyl-N-propylprop-2-ene-1-sulfonamide
CID 143361636
N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
CID 21275121
N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107327365
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 115279924
4-bromo-N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528768
N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
CID 79672794
3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide
CID 79580276

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide?
The IUPAC name of 1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide (CID 83085587) is 1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for 1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide is C=CCN(CC)S(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide?
The InChIKey is STDNIVOHPVHLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2S/c1-3-5-8(4-2)11(9,10)6-7/h3H,1,4-6H2,2H3.
What are the key properties of 1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide?
1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide has a molecular weight of 242.14 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 83085587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).