N-(2-bromo-3-methoxypropyl)methanesulfonamide

C5H12BrNO3S — CID 114296203

IUPACN-(2-bromo-3-methoxypropyl)methanesulfonamide
SMILESCOCC(Br)CNS(C)(=O)=O
InChIInChI=1S/C5H12BrNO3S/c1-10-4-5(6)3-7-11(2,8)9/h5,7H,3-4H2,1-2H3
InChIKeyADNJPQNOACROSJ-UHFFFAOYSA-N
MW246.13 g/mol
LogP-0.05
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)methanesulfonamide

N-(2-bromo-3-methoxypropyl)methanesulfonamide (PubChem CID 114296203) has the molecular formula C5H12BrNO3S and a molecular weight of 246.13 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)methanesulfonamide
PubChem CID114296203
Molecular FormulaC5H12BrNO3S
Molecular Weight246.13 g/mol
Exact Mass244.97
IUPAC NameN-(2-bromo-3-methoxypropyl)methanesulfonamide
SMILESCOCC(Br)CNS(C)(=O)=O
InChIInChI=1S/C5H12BrNO3S/c1-10-4-5(6)3-7-11(2,8)9/h5,7H,3-4H2,1-2H3
InChIKeyADNJPQNOACROSJ-UHFFFAOYSA-N
XLogP-0.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)methanesulfonamide
CID 114295652
N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795672
N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide
CID 106245719
4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
CID 113271487
N-(2-bromo-3-methoxypropyl)-1-ethylimidazole-4-sulfonamide
CID 114296266
2-bromo-1-methoxy-6-methylsulfonylhexane
CID 63195962
N-(3-hydroxy-4-methoxybutyl)methanesulfonamide
CID 103875867
N-(2-bromo-3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 114296184
N-(2-bromo-2-cyclopropylethyl)methanesulfonamide
CID 114294506
N-(3-bromo-4-methoxybutyl)-2,2-dimethylpropane-1-sulfonamide
CID 106245673
N-(3-bromo-4-methoxybutyl)-3-methylbutane-1-sulfonamide
CID 106245684
methyl 2-chloro-3-(methanesulfonamido)propanoate
CID 103493482

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)methanesulfonamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)methanesulfonamide (CID 114296203) is N-(2-bromo-3-methoxypropyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)methanesulfonamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)methanesulfonamide is COCC(Br)CNS(C)(=O)=O.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)methanesulfonamide?
The InChIKey is ADNJPQNOACROSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BrNO3S/c1-10-4-5(6)3-7-11(2,8)9/h5,7H,3-4H2,1-2H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)methanesulfonamide?
N-(2-bromo-3-methoxypropyl)methanesulfonamide has a molecular weight of 246.13 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)methanesulfonamide is sourced from PubChem (CID 114296203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).