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

C6H12BrNO2S — CID 115456558

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CBr)CC1
InChIInChI=1S/C6H12BrNO2S/c1-11(9,10)8-5-6(4-7)2-3-6/h8H,2-5H2,1H3
InChIKeyKXSHZLSFXKNGPY-UHFFFAOYSA-N
MW242.14 g/mol
LogP0.71
Rot. Bonds4

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

N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide (PubChem CID 115456558) has the molecular formula C6H12BrNO2S and a molecular weight of 242.14 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide
PubChem CID115456558
Molecular FormulaC6H12BrNO2S
Molecular Weight242.14 g/mol
Exact Mass240.98
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CBr)CC1
InChIInChI=1S/C6H12BrNO2S/c1-11(9,10)8-5-6(4-7)2-3-6/h8H,2-5H2,1H3
InChIKeyKXSHZLSFXKNGPY-UHFFFAOYSA-N
XLogP0.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 50.71
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)cyclopropyl]methyl]propane-1-sulfonamide
CID 115456556
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950
N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,4-difluorobenzenesulfonamide
CID 113313602
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
CID 115456575
N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
CID 115365086
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-methylbutane-1-sulfonamide
CID 113359999
N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
CID 115642581
5-bromo-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylthiophene-3-sulfonamide
CID 115456537
N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 119958900
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466827

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide (CID 115456558) is N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1(CBr)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide?
The InChIKey is KXSHZLSFXKNGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2S/c1-11(9,10)8-5-6(4-7)2-3-6/h8H,2-5H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide has a molecular weight of 242.14 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide is sourced from PubChem (CID 115456558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).