N-(2-bromoethyl)-N-methylpropane-1-sulfonamide

C6H14BrNO2S — CID 80668875

IUPACN-(2-bromoethyl)-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCBr
InChIInChI=1S/C6H14BrNO2S/c1-3-6-11(9,10)8(2)5-4-7/h3-6H2,1-2H3
InChIKeyVZTDPKMCRISPFA-UHFFFAOYSA-N
MW244.15 g/mol
LogP1.05
Rot. Bonds5

About N-(2-bromoethyl)-N-methylpropane-1-sulfonamide

N-(2-bromoethyl)-N-methylpropane-1-sulfonamide (PubChem CID 80668875) has the molecular formula C6H14BrNO2S and a molecular weight of 244.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methylpropane-1-sulfonamide
PubChem CID80668875
Molecular FormulaC6H14BrNO2S
Molecular Weight244.15 g/mol
Exact Mass242.99
IUPAC NameN-(2-bromoethyl)-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCBr
InChIInChI=1S/C6H14BrNO2S/c1-3-6-11(9,10)8(2)5-4-7/h3-6H2,1-2H3
InChIKeyVZTDPKMCRISPFA-UHFFFAOYSA-N
XLogP1.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-methylpropane-1-sulfonamide (CID 80668875) is N-(2-bromoethyl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CCBr.
What is the InChIKey of N-(2-bromoethyl)-N-methylpropane-1-sulfonamide?
The InChIKey is VZTDPKMCRISPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO2S/c1-3-6-11(9,10)8(2)5-4-7/h3-6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-methylpropane-1-sulfonamide?
N-(2-bromoethyl)-N-methylpropane-1-sulfonamide has a molecular weight of 244.15 g/mol, XLogP of 1.05, 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-methylpropane-1-sulfonamide is sourced from PubChem (CID 80668875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).