N-bromomorpholine-4-sulfonamide

C4H9BrN2O3S — CID 117126249

IUPACN-bromomorpholine-4-sulfonamide
SMILESO=S(=O)(NBr)N1CCOCC1
InChIInChI=1S/C4H9BrN2O3S/c5-6-11(8,9)7-1-3-10-4-2-7/h6H,1-4H2
InChIKeyHIHKCMDYYANNEC-UHFFFAOYSA-N
MW245.10 g/mol
LogP-0.54
Rot. Bonds2

About N-bromomorpholine-4-sulfonamide

N-bromomorpholine-4-sulfonamide (PubChem CID 117126249) has the molecular formula C4H9BrN2O3S and a molecular weight of 245.10 g/mol. Its IUPAC name is N-bromomorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-bromomorpholine-4-sulfonamide
PubChem CID117126249
Molecular FormulaC4H9BrN2O3S
Molecular Weight245.10 g/mol
Exact Mass243.95
IUPAC NameN-bromomorpholine-4-sulfonamide
SMILESO=S(=O)(NBr)N1CCOCC1
InChIInChI=1S/C4H9BrN2O3S/c5-6-11(8,9)7-1-3-10-4-2-7/h6H,1-4H2
InChIKeyHIHKCMDYYANNEC-UHFFFAOYSA-N
XLogP-0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide
CID 114297103
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide
CID 79711435
N-(3-hydroxy-3-methylcyclobutyl)morpholine-4-sulfonamide
CID 138045268
1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165451
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 115754877
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 10445626
N-(3-iodopropyl)morpholine-4-sulfonamide
CID 114504667
N-morpholin-4-ylsulfonylprop-2-enamide
CID 142782715
N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide
CID 28940608
N-(1,4-dioxaspiro[4.5]decan-8-yl)morpholine-4-sulfonamide
CID 47319516

Frequently Asked Questions

What is the IUPAC name of N-bromomorpholine-4-sulfonamide?
The IUPAC name of N-bromomorpholine-4-sulfonamide (CID 117126249) is N-bromomorpholine-4-sulfonamide.
What is the SMILES notation for N-bromomorpholine-4-sulfonamide?
The canonical SMILES for N-bromomorpholine-4-sulfonamide is O=S(=O)(NBr)N1CCOCC1.
What is the InChIKey of N-bromomorpholine-4-sulfonamide?
The InChIKey is HIHKCMDYYANNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrN2O3S/c5-6-11(8,9)7-1-3-10-4-2-7/h6H,1-4H2.
What are the key properties of N-bromomorpholine-4-sulfonamide?
N-bromomorpholine-4-sulfonamide has a molecular weight of 245.10 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromomorpholine-4-sulfonamide is sourced from PubChem (CID 117126249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).