N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide

C13H26BrNO2S — CID 106169825

IUPACN-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H26BrNO2S/c1-3-13(2,9-10-14)15-18(16,17)11-12-7-5-4-6-8-12/h12,15H,3-11H2,1-2H3
InChIKeyUYVDGKCHULDPKD-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.44
Rot. Bonds7

About N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide

N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide (PubChem CID 106169825) has the molecular formula C13H26BrNO2S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide
PubChem CID106169825
Molecular FormulaC13H26BrNO2S
Molecular Weight340.33 g/mol
Exact Mass339.09
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H26BrNO2S/c1-3-13(2,9-10-14)15-18(16,17)11-12-7-5-4-6-8-12/h12,15H,3-11H2,1-2H3
InChIKeyUYVDGKCHULDPKD-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.44
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-[1-(bromomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058253
N-tert-butyl-1-cyclohexylmethanesulfonamide
CID 64281408
3-(bromomethyl)-N-tert-butylcyclohexane-1-sulfonamide
CID 145777941
N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide
CID 61453740
N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide
CID 61453741
N-(1,3-dibromo-2-methylpropan-2-yl)cyclohexanesulfonamide
CID 81967057
1-cyclohexyl-N-(1,3-dibromo-2-methylpropan-2-yl)methanesulfonamide
CID 81967058
N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide
CID 83178676
N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521778
N-[1-(bromomethyl)-3-methylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521780
N-(4-bromopentan-2-yl)-1-cyclohexylmethanesulfonamide
CID 104111124
N-[1-(bromomethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361765

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide (CID 106169825) is N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide is CCC(C)(CCBr)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide?
The InChIKey is UYVDGKCHULDPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO2S/c1-3-13(2,9-10-14)15-18(16,17)11-12-7-5-4-6-8-12/h12,15H,3-11H2,1-2H3.
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide?
N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide has a molecular weight of 340.33 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 106169825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).