1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide

C9H18BrNO2S — CID 83092325

IUPAC1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CBr
InChIInChI=1S/C9H18BrNO2S/c1-2-11(14(12,13)8-10)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyLAZSFARUKFJIQH-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.32
Rot. Bonds4

About 1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide

1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide (PubChem CID 83092325) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is 1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide
PubChem CID83092325
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC Name1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CBr
InChIInChI=1S/C9H18BrNO2S/c1-2-11(14(12,13)8-10)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyLAZSFARUKFJIQH-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
N-cyclohexyl-N-ethylsulfamoyl chloride
CID 16769623
1-bromo-N-cycloheptyl-N-methylmethanesulfonamide
CID 83092714
N-cyclopentyl-N-ethylmethanesulfonamide
CID 58540435
1-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylmethanesulfonamide
CID 83084951
N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide
CID 54973746
3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
CID 79585815
4-[cyclopentyl(ethyl)sulfamoyl]butanoic acid
CID 43541031
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
CID 50849243
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967
N,N-dicyclopentylethanesulfonamide
CID 70950391

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide?
The IUPAC name of 1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide (CID 83092325) is 1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide?
The canonical SMILES for 1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide is CCN(C1CCCCC1)S(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide?
The InChIKey is LAZSFARUKFJIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-2-11(14(12,13)8-10)9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of 1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide?
1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide is sourced from PubChem (CID 83092325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).