1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide

C9H20BrNO3S — CID 83084265

IUPAC1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)CBr
InChIInChI=1S/C9H20BrNO3S/c1-4-9(5-2)11(6-7-14-3)15(12,13)8-10/h9H,4-8H2,1-3H3
InChIKeyIDFHFTYQLWMERF-UHFFFAOYSA-N
MW302.23 g/mol
LogP1.81
Rot. Bonds8

About 1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide

1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide (PubChem CID 83084265) has the molecular formula C9H20BrNO3S and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
PubChem CID83084265
Molecular FormulaC9H20BrNO3S
Molecular Weight302.23 g/mol
Exact Mass301.03
IUPAC Name1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)CBr
InChIInChI=1S/C9H20BrNO3S/c1-4-9(5-2)11(6-7-14-3)15(12,13)8-10/h9H,4-8H2,1-3H3
InChIKeyIDFHFTYQLWMERF-UHFFFAOYSA-N
XLogP1.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 60773925
N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine
CID 78881826
1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide
CID 83083949
N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55002624
N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 60539885
4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 62058154
N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide
CID 62153472
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)propane-2-sulfonamide
CID 64584190
5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951166
2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide
CID 61061226
N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 52620638
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide?
The IUPAC name of 1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide (CID 83084265) is 1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide is CCC(CC)N(CCOC)S(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide?
The InChIKey is IDFHFTYQLWMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO3S/c1-4-9(5-2)11(6-7-14-3)15(12,13)8-10/h9H,4-8H2,1-3H3.
What are the key properties of 1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide?
1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide has a molecular weight of 302.23 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide is sourced from PubChem (CID 83084265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).