N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide

C14H28BrNO2S — CID 106255825

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide
SMILESCCC(CC)(CBr)CNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H28BrNO2S/c1-3-14(4-2,11-15)12-16-19(17,18)10-13-8-6-5-7-9-13/h13,16H,3-12H2,1-2H3
InChIKeyKBFULHGFHMQNBF-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.69
Rot. Bonds8

About N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide

N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide (PubChem CID 106255825) has the molecular formula C14H28BrNO2S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide
PubChem CID106255825
Molecular FormulaC14H28BrNO2S
Molecular Weight354.35 g/mol
Exact Mass353.10
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide
SMILESCCC(CC)(CBr)CNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H28BrNO2S/c1-3-14(4-2,11-15)12-16-19(17,18)10-13-8-6-5-7-9-13/h13,16H,3-12H2,1-2H3
InChIKeyKBFULHGFHMQNBF-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.69
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

1-cyclohexyl-N-(2-methylpropyl)methanesulfonamide
CID 62735180
N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide
CID 114295370
N-[2-(bromomethyl)-2-ethylbutyl]cycloheptanecarboxamide
CID 106255395
1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide
CID 79547818
1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide
CID 62967339
4-(cyclohexylmethylsulfonylamino)-2,2-dimethylbutanoic acid
CID 114285500
1-cyclohexyl-N-[(6-methylpiperidin-2-yl)methyl]methanesulfonamide
CID 62321267
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818
2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride
CID 81357977
1-cyclohexyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734539
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
1-bromo-N-(2-cyclohexylethyl)methanesulfonamide
CID 83083703

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide (CID 106255825) is N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide is CCC(CC)(CBr)CNS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide?
The InChIKey is KBFULHGFHMQNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO2S/c1-3-14(4-2,11-15)12-16-19(17,18)10-13-8-6-5-7-9-13/h13,16H,3-12H2,1-2H3.
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide?
N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide has a molecular weight of 354.35 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 106255825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).