N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide

C13H24BrNO2S — CID 113271630

IUPACN-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NC1(CBr)CCCC1
InChIInChI=1S/C13H24BrNO2S/c14-11-13(8-4-5-9-13)15-18(16,17)10-12-6-2-1-3-7-12/h12,15H,1-11H2
InChIKeyUWOZGKRNQUDHGV-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide

N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide (PubChem CID 113271630) has the molecular formula C13H24BrNO2S and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
PubChem CID113271630
Molecular FormulaC13H24BrNO2S
Molecular Weight338.31 g/mol
Exact Mass337.07
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NC1(CBr)CCCC1
InChIInChI=1S/C13H24BrNO2S/c14-11-13(8-4-5-9-13)15-18(16,17)10-12-6-2-1-3-7-12/h12,15H,1-11H2
InChIKeyUWOZGKRNQUDHGV-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.19
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)cyclopentyl]-1-cyclopropylmethanesulfonamide
CID 114297143
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622
N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271040
N-[1-(bromomethyl)cyclopentyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114297170
1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61454000
N-[1-(bromomethyl)cyclohexyl]-2-cyclopentylacetamide
CID 114314127
N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide
CID 114293779
N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
CID 114459158
N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide
CID 114295370
N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide
CID 64989375
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818
1-cyclopentyl-N-[[1-(dimethylamino)cyclohexyl]methyl]methanesulfonamide
CID 131891984

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide (CID 113271630) is N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide is O=S(=O)(CC1CCCCC1)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide?
The InChIKey is UWOZGKRNQUDHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2S/c14-11-13(8-4-5-9-13)15-18(16,17)10-12-6-2-1-3-7-12/h12,15H,1-11H2.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide?
N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide has a molecular weight of 338.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 113271630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).