1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide

C6H14BrNO3S — CID 83086572

IUPAC1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide
SMILESCCOCC(C)NS(=O)(=O)CBr
InChIInChI=1S/C6H14BrNO3S/c1-3-11-4-6(2)8-12(9,10)5-7/h6,8H,3-5H2,1-2H3
InChIKeyHSIXDUCNXSQPIJ-UHFFFAOYSA-N
MW260.15 g/mol
LogP0.68
Rot. Bonds6

About 1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide

1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide (PubChem CID 83086572) has the molecular formula C6H14BrNO3S and a molecular weight of 260.15 g/mol. Its IUPAC name is 1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide
PubChem CID83086572
Molecular FormulaC6H14BrNO3S
Molecular Weight260.15 g/mol
Exact Mass258.99
IUPAC Name1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide
SMILESCCOCC(C)NS(=O)(=O)CBr
InChIInChI=1S/C6H14BrNO3S/c1-3-11-4-6(2)8-12(9,10)5-7/h6,8H,3-5H2,1-2H3
InChIKeyHSIXDUCNXSQPIJ-UHFFFAOYSA-N
XLogP0.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 50.68
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

N-(4-bromobutan-2-yl)-2-ethoxyethanesulfonamide
CID 83179051
1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide
CID 83092799
1-bromo-N-(3-methylpentan-2-yl)methanesulfonamide
CID 83086988
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide
CID 65031065
1-bromo-N-(5-hydroxypentan-2-yl)methanesulfonamide
CID 83086597
4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957290
N-(1-bromo-3-methylbutan-2-yl)-2-ethoxyethanesulfonamide
CID 114294798
N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine
CID 115920811
ethane;N-(1-ethoxypropan-2-yl)acetamide;methanol
CID 156707108
N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide
CID 114294443

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide (CID 83086572) is 1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide is CCOCC(C)NS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide?
The InChIKey is HSIXDUCNXSQPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO3S/c1-3-11-4-6(2)8-12(9,10)5-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide?
1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide has a molecular weight of 260.15 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide is sourced from PubChem (CID 83086572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).