2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide

C6H13BrN2O3S — CID 106335493

IUPAC2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)CBr
InChIInChI=1S/C6H13BrN2O3S/c1-9(2)13(11,12)4-3-8-6(10)5-7/h3-5H2,1-2H3,(H,8,10)
InChIKeyFCHZOTAVSANKEJ-UHFFFAOYSA-N
MW273.15 g/mol
LogP-0.61
Rot. Bonds5

About 2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide

2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide (PubChem CID 106335493) has the molecular formula C6H13BrN2O3S and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
PubChem CID106335493
Molecular FormulaC6H13BrN2O3S
Molecular Weight273.15 g/mol
Exact Mass271.98
IUPAC Name2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)CBr
InChIInChI=1S/C6H13BrN2O3S/c1-9(2)13(11,12)4-3-8-6(10)5-7/h3-5H2,1-2H3,(H,8,10)
InChIKeyFCHZOTAVSANKEJ-UHFFFAOYSA-N
XLogP-0.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
CID 106334792
2-[(2-bromoacetyl)amino]ethanesulfonic acid
CID 19908000
2-amino-N-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]acetamide
CID 114175259
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106337531
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333131
2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333044
methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate
CID 56874430
1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea
CID 106335688

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide (CID 106335493) is 2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide is CN(C)S(=O)(=O)CCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The InChIKey is FCHZOTAVSANKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrN2O3S/c1-9(2)13(11,12)4-3-8-6(10)5-7/h3-5H2,1-2H3,(H,8,10).
What are the key properties of 2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide has a molecular weight of 273.15 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide is sourced from PubChem (CID 106335493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).