N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide

C15H28BrNO2S — CID 114295370

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCC1CCCCC1CBr
InChIInChI=1S/C15H28BrNO2S/c16-10-14-8-4-5-9-15(14)11-17-20(18,19)12-13-6-2-1-3-7-13/h13-15,17H,1-12H2
InChIKeyPSTWBXSCBPVASV-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.69
Rot. Bonds6

About N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide (PubChem CID 114295370) has the molecular formula C15H28BrNO2S and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide
PubChem CID114295370
Molecular FormulaC15H28BrNO2S
Molecular Weight366.37 g/mol
Exact Mass365.10
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCC1CCCCC1CBr
InChIInChI=1S/C15H28BrNO2S/c16-10-14-8-4-5-9-15(14)11-17-20(18,19)12-13-6-2-1-3-7-13/h13-15,17H,1-12H2
InChIKeyPSTWBXSCBPVASV-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
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

N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 64929835
N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide
CID 65032688
1-cyclohexyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734539
1-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 114955890
N-[(3-chlorocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 114148320
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
1-cyclohexyl-N-(2-methylpropyl)methanesulfonamide
CID 62735180
N-[2-(bromomethyl)-2-ethylbutyl]-1-cyclohexylmethanesulfonamide
CID 106255825
N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 113271630
ethyl N-[[2-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466708
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]benzenesulfonamide
CID 114295394

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide (CID 114295370) is N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide is O=S(=O)(CC1CCCCC1)NCC1CCCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide?
The InChIKey is PSTWBXSCBPVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO2S/c16-10-14-8-4-5-9-15(14)11-17-20(18,19)12-13-6-2-1-3-7-13/h13-15,17H,1-12H2.
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide has a molecular weight of 366.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 114295370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).