N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C7H11BrN2O3S — CID 43133689

IUPACN-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCCBr)no1
InChIInChI=1S/C7H11BrN2O3S/c1-6-4-7(10-13-6)5-14(11,12)9-3-2-8/h4,9H,2-3,5H2,1H3
InChIKeyYPRXLPYMWAMBFB-UHFFFAOYSA-N
MW283.15 g/mol
LogP0.80
Rot. Bonds5

About N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 43133689) has the molecular formula C7H11BrN2O3S and a molecular weight of 283.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID43133689
Molecular FormulaC7H11BrN2O3S
Molecular Weight283.15 g/mol
Exact Mass281.97
IUPAC NameN-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCCBr)no1
InChIInChI=1S/C7H11BrN2O3S/c1-6-4-7(10-13-6)5-14(11,12)9-3-2-8/h4,9H,2-3,5H2,1H3
InChIKeyYPRXLPYMWAMBFB-UHFFFAOYSA-N
XLogP0.80
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55101025
N-(6-hydroxyhexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103918339
N-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 115633596
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
N-(3-hydroxy-4-methoxybutyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103875953
N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 114384148
1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 54896768
1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide
CID 97212104
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 43133689) is N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)NCCBr)no1.
What is the InChIKey of N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is YPRXLPYMWAMBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O3S/c1-6-4-7(10-13-6)5-14(11,12)9-3-2-8/h4,9H,2-3,5H2,1H3.
What are the key properties of N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 283.15 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 43133689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).