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

C10H20BrNO2S — CID 103969950

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C10H20BrNO2S/c1-2-15(13,14)12-9-10(8-11)6-4-3-5-7-10/h12H,2-9H2,1H3
InChIKeyICNPNVHMEOXAOR-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.27
Rot. Bonds5

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

N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide (PubChem CID 103969950) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
PubChem CID103969950
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C10H20BrNO2S/c1-2-15(13,14)12-9-10(8-11)6-4-3-5-7-10/h12H,2-9H2,1H3
InChIKeyICNPNVHMEOXAOR-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.27
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)cyclohexyl]methyl]-3-methylbutane-1-sulfonamide
CID 113359999
N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide
CID 115456556
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide
CID 115456558
N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
CID 115365086
propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466827
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
CID 114749822
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 103969990
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 103969987
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 103969722
1-ethyl-1-[(sulfamoylamino)methyl]cyclopentane
CID 71918763
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethoxyethanesulfonamide
CID 103970051

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide (CID 103969950) is N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide?
The InChIKey is ICNPNVHMEOXAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-2-15(13,14)12-9-10(8-11)6-4-3-5-7-10/h12H,2-9H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.27, 5 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]ethanesulfonamide is sourced from PubChem (CID 103969950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).