1-bromo-N-(2-cyclohexylethyl)methanesulfonamide

C9H18BrNO2S — CID 83083703

IUPAC1-bromo-N-(2-cyclohexylethyl)methanesulfonamide
SMILESO=S(=O)(CBr)NCCC1CCCCC1
InChIInChI=1S/C9H18BrNO2S/c10-8-14(12,13)11-7-6-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyIMLGDEGIWRMBLX-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.23
Rot. Bonds5

About 1-bromo-N-(2-cyclohexylethyl)methanesulfonamide

1-bromo-N-(2-cyclohexylethyl)methanesulfonamide (PubChem CID 83083703) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is 1-bromo-N-(2-cyclohexylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-cyclohexylethyl)methanesulfonamide
PubChem CID83083703
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC Name1-bromo-N-(2-cyclohexylethyl)methanesulfonamide
SMILESO=S(=O)(CBr)NCCC1CCCCC1
InChIInChI=1S/C9H18BrNO2S/c10-8-14(12,13)11-7-6-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyIMLGDEGIWRMBLX-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylethyl)propane-1-sulfonamide
CID 61383726
2-cyclopentyl-N-propylethanesulfonamide
CID 91196962
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CID 54932858
N-(2-cyclohexylethyl)pyrrolidine-3-sulfonamide
CID 65421145
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
CID 113479488
3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
CID 79588548
4-(cyclohexylmethylsulfonylamino)-2,2-dimethylbutanoic acid
CID 114285500
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
4-chloro-N-(3-cyclopentylpropyl)butane-1-sulfonamide
CID 105055639
2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride
CID 81357977

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-cyclohexylethyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2-cyclohexylethyl)methanesulfonamide (CID 83083703) is 1-bromo-N-(2-cyclohexylethyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-cyclohexylethyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-cyclohexylethyl)methanesulfonamide is O=S(=O)(CBr)NCCC1CCCCC1.
What is the InChIKey of 1-bromo-N-(2-cyclohexylethyl)methanesulfonamide?
The InChIKey is IMLGDEGIWRMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c10-8-14(12,13)11-7-6-9-4-2-1-3-5-9/h9,11H,1-8H2.
What are the key properties of 1-bromo-N-(2-cyclohexylethyl)methanesulfonamide?
1-bromo-N-(2-cyclohexylethyl)methanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-cyclohexylethyl)methanesulfonamide is sourced from PubChem (CID 83083703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).