N-(2-bromoethyl)-N-methylmethanesulfonamide

C4H10BrNO2S — CID 80669868

IUPACN-(2-bromoethyl)-N-methylmethanesulfonamide
SMILESCN(CCBr)S(C)(=O)=O
InChIInChI=1S/C4H10BrNO2S/c1-6(4-3-5)9(2,7)8/h3-4H2,1-2H3
InChIKeyQVZGVEQSAPXDND-UHFFFAOYSA-N
MW216.10 g/mol
LogP0.27
Rot. Bonds3

About N-(2-bromoethyl)-N-methylmethanesulfonamide

N-(2-bromoethyl)-N-methylmethanesulfonamide (PubChem CID 80669868) has the molecular formula C4H10BrNO2S and a molecular weight of 216.10 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methylmethanesulfonamide
PubChem CID80669868
Molecular FormulaC4H10BrNO2S
Molecular Weight216.10 g/mol
Exact Mass214.96
IUPAC NameN-(2-bromoethyl)-N-methylmethanesulfonamide
SMILESCN(CCBr)S(C)(=O)=O
InChIInChI=1S/C4H10BrNO2S/c1-6(4-3-5)9(2,7)8/h3-4H2,1-2H3
InChIKeyQVZGVEQSAPXDND-UHFFFAOYSA-N
XLogP0.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 50.27
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-methylmethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-methylmethanesulfonamide (CID 80669868) is N-(2-bromoethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-methylmethanesulfonamide is CN(CCBr)S(C)(=O)=O.
What is the InChIKey of N-(2-bromoethyl)-N-methylmethanesulfonamide?
The InChIKey is QVZGVEQSAPXDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrNO2S/c1-6(4-3-5)9(2,7)8/h3-4H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-methylmethanesulfonamide?
N-(2-bromoethyl)-N-methylmethanesulfonamide has a molecular weight of 216.10 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 80669868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).