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

C11H22BrNO3S — CID 103969969

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C11H22BrNO3S/c1-16-7-8-17(14,15)13-10-11(9-12)5-3-2-4-6-11/h13H,2-10H2,1H3
InChIKeyRKLHFXZIBGJREF-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.90
Rot. Bonds7

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

N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide (PubChem CID 103969969) has the molecular formula C11H22BrNO3S and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide
PubChem CID103969969
Molecular FormulaC11H22BrNO3S
Molecular Weight328.27 g/mol
Exact Mass327.05
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C11H22BrNO3S/c1-16-7-8-17(14,15)13-10-11(9-12)5-3-2-4-6-11/h13H,2-10H2,1H3
InChIKeyRKLHFXZIBGJREF-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide (CID 103969969) is N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide?
The InChIKey is RKLHFXZIBGJREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3S/c1-16-7-8-17(14,15)13-10-11(9-12)5-3-2-4-6-11/h13H,2-10H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide has a molecular weight of 328.27 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 103969969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).