N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide

C9H18BrNO2S — CID 61453740

IUPACN-(2-bromoethyl)-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCCBr
InChIInChI=1S/C9H18BrNO2S/c10-6-7-11-14(12,13)8-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyKNYHFWMUXSEGPW-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.88
Rot. Bonds5

About N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide

N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide (PubChem CID 61453740) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-1-cyclohexylmethanesulfonamide
PubChem CID61453740
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-(2-bromoethyl)-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCCBr
InChIInChI=1S/C9H18BrNO2S/c10-6-7-11-14(12,13)8-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyKNYHFWMUXSEGPW-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(2-bromoethyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide (CID 61453740) is N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide is O=S(=O)(CC1CCCCC1)NCCBr.
What is the InChIKey of N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is KNYHFWMUXSEGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c10-6-7-11-14(12,13)8-9-4-2-1-3-5-9/h9,11H,1-8H2.
What are the key properties of N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide?
N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 61453740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).