N-(2-iodoethyl)methanesulfonamide

C3H8INO2S — CID 21344428

IUPACN-(2-iodoethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCI
InChIInChI=1S/C3H8INO2S/c1-8(6,7)5-3-2-4/h5H,2-3H2,1H3
InChIKeyQRJDRGVAXTXUOE-UHFFFAOYSA-N
MW249.07 g/mol
LogP-0.03
Rot. Bonds3

About N-(2-iodoethyl)methanesulfonamide

N-(2-iodoethyl)methanesulfonamide (PubChem CID 21344428) has the molecular formula C3H8INO2S and a molecular weight of 249.07 g/mol. Its IUPAC name is N-(2-iodoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-iodoethyl)methanesulfonamide
PubChem CID21344428
Molecular FormulaC3H8INO2S
Molecular Weight249.07 g/mol
Exact Mass248.93
IUPAC NameN-(2-iodoethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCI
InChIInChI=1S/C3H8INO2S/c1-8(6,7)5-3-2-4/h5H,2-3H2,1H3
InChIKeyQRJDRGVAXTXUOE-UHFFFAOYSA-N
XLogP-0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylmethanesulfonamide
CID 5136276
Ethanaminium mesylate
CID 56927986
N-methylsulfonylsulfanylethanamine
CID 87551065
N-ethylmethanesulfonamide;tris(yttrium)
CID 20621256
N-(2-iodoethyl)-1-ethanesulfonamide
CID 22707949
CID 58399089
CID 58399089
N-ethylmethanesulfonamide;hydrochloride
CID 87431036
CID 88791504
CID 88791504
N-(2-iodoethyl)propane-2-sulfonamide
CID 104081178
N-(3-iodopropyl)propane-2-sulfonamide
CID 114504681
N-(3-iodopropyl)methanesulfonamide
CID 114504724
N-(1-iodoethyl)methanesulfonamide
CID 130380275

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)methanesulfonamide?
The IUPAC name of N-(2-iodoethyl)methanesulfonamide (CID 21344428) is N-(2-iodoethyl)methanesulfonamide.
What is the SMILES notation for N-(2-iodoethyl)methanesulfonamide?
The canonical SMILES for N-(2-iodoethyl)methanesulfonamide is CS(=O)(=O)NCCI.
What is the InChIKey of N-(2-iodoethyl)methanesulfonamide?
The InChIKey is QRJDRGVAXTXUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8INO2S/c1-8(6,7)5-3-2-4/h5H,2-3H2,1H3.
What are the key properties of N-(2-iodoethyl)methanesulfonamide?
N-(2-iodoethyl)methanesulfonamide has a molecular weight of 249.07 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)methanesulfonamide is sourced from PubChem (CID 21344428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).