N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide

C9H18BrNO2S — CID 103969928

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C9H18BrNO2S/c1-14(12,13)11-8-9(7-10)5-3-2-4-6-9/h11H,2-8H2,1H3
InChIKeyIJNXNYITXVJDEN-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.88
Rot. Bonds4

About N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide

N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide (PubChem CID 103969928) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide
PubChem CID103969928
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C9H18BrNO2S/c1-14(12,13)11-8-9(7-10)5-3-2-4-6-9/h11H,2-8H2,1H3
InChIKeyIJNXNYITXVJDEN-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]methanesulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide (CID 103969928) is N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide?
The InChIKey is IJNXNYITXVJDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-14(12,13)11-8-9(7-10)5-3-2-4-6-9/h11H,2-8H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide is sourced from PubChem (CID 103969928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).