4-(methylsulfamoyl)butanoyl iodide

C5H10INO3S — CID 167284890

IUPAC4-(methylsulfamoyl)butanoyl iodide
SMILESCNS(=O)(=O)CCCC(=O)I
InChIInChI=1S/C5H10INO3S/c1-7-11(9,10)4-2-3-5(6)8/h7H,2-4H2,1H3
InChIKeyNGNTYMUYMYTOKB-UHFFFAOYSA-N
MW291.11 g/mol
LogP0.28
Rot. Bonds5

About 4-(methylsulfamoyl)butanoyl iodide

4-(methylsulfamoyl)butanoyl iodide (PubChem CID 167284890) has the molecular formula C5H10INO3S and a molecular weight of 291.11 g/mol. Its IUPAC name is 4-(methylsulfamoyl)butanoyl iodide.

Molecular Properties

Compound Name4-(methylsulfamoyl)butanoyl iodide
PubChem CID167284890
Molecular FormulaC5H10INO3S
Molecular Weight291.11 g/mol
Exact Mass290.94
IUPAC Name4-(methylsulfamoyl)butanoyl iodide
SMILESCNS(=O)(=O)CCCC(=O)I
InChIInChI=1S/C5H10INO3S/c1-7-11(9,10)4-2-3-5(6)8/h7H,2-4H2,1H3
InChIKeyNGNTYMUYMYTOKB-UHFFFAOYSA-N
XLogP0.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methylbutane-1-sulfonamide;hydrochloride
CID 141278218
5-(methylsulfamoyl)pentylcarbamic acid
CID 87271988
3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
CID 23568037
methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
6-ethenylsulfonylhexanoyl iodide
CID 121401578
3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide
CID 111336402
4-(tert-butylamino)butanoyl iodide
CID 126602770
4-chlorobutanoyl iodide
CID 12715974
2-methyl-2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 106336691
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide
CID 114175469

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)butanoyl iodide?
The IUPAC name of 4-(methylsulfamoyl)butanoyl iodide (CID 167284890) is 4-(methylsulfamoyl)butanoyl iodide.
What is the SMILES notation for 4-(methylsulfamoyl)butanoyl iodide?
The canonical SMILES for 4-(methylsulfamoyl)butanoyl iodide is CNS(=O)(=O)CCCC(=O)I.
What is the InChIKey of 4-(methylsulfamoyl)butanoyl iodide?
The InChIKey is NGNTYMUYMYTOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO3S/c1-7-11(9,10)4-2-3-5(6)8/h7H,2-4H2,1H3.
What are the key properties of 4-(methylsulfamoyl)butanoyl iodide?
4-(methylsulfamoyl)butanoyl iodide has a molecular weight of 291.11 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)butanoyl iodide is sourced from PubChem (CID 167284890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).