N-ethyl-N-iodomethanesulfonamide

C3H8INO2S — CID 118574483

IUPACN-ethyl-N-iodomethanesulfonamide
SMILESCCN(I)S(C)(=O)=O
InChIInChI=1S/C3H8INO2S/c1-3-5(4)8(2,6)7/h3H2,1-2H3
InChIKeyIPIDYHOEENPRPN-UHFFFAOYSA-N
MW249.07 g/mol
LogP0.62
Rot. Bonds2

About N-ethyl-N-iodomethanesulfonamide

N-ethyl-N-iodomethanesulfonamide (PubChem CID 118574483) has the molecular formula C3H8INO2S and a molecular weight of 249.07 g/mol. Its IUPAC name is N-ethyl-N-iodomethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-iodomethanesulfonamide
PubChem CID118574483
Molecular FormulaC3H8INO2S
Molecular Weight249.07 g/mol
Exact Mass248.93
IUPAC NameN-ethyl-N-iodomethanesulfonamide
SMILESCCN(I)S(C)(=O)=O
InChIInChI=1S/C3H8INO2S/c1-3-5(4)8(2,6)7/h3H2,1-2H3
InChIKeyIPIDYHOEENPRPN-UHFFFAOYSA-N
XLogP0.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-fluoromethanesulfonamide
CID 118574474
N-ethyl-1-fluoro-N-iodomethanesulfonamide
CID 118574544
1-fluoro-N-iodo-N-propylmethanesulfonamide
CID 118574597
CID 139243959
CID 139243959
Ethyl(methylsulfonyl)azanide
CID 23597319
N-bromo-N-ethylmethanesulfonamide
CID 53889905
Methylsulfonyl(propyl)azanide
CID 59584308
[Methylsulfonyl(sulfinato)amino]ethane
CID 91586148
N-ethyl-N-iodoethanesulfonamide
CID 117906034
N-iodo-N-propylmethanesulfonamide
CID 118574477
N-chloro-N-ethylmethanesulfonamide
CID 118574603
Silver ethyl(methylsulfonyl)azanide
CID 159806758

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-iodomethanesulfonamide?
The IUPAC name of N-ethyl-N-iodomethanesulfonamide (CID 118574483) is N-ethyl-N-iodomethanesulfonamide.
What is the SMILES notation for N-ethyl-N-iodomethanesulfonamide?
The canonical SMILES for N-ethyl-N-iodomethanesulfonamide is CCN(I)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-iodomethanesulfonamide?
The InChIKey is IPIDYHOEENPRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8INO2S/c1-3-5(4)8(2,6)7/h3H2,1-2H3.
What are the key properties of N-ethyl-N-iodomethanesulfonamide?
N-ethyl-N-iodomethanesulfonamide has a molecular weight of 249.07 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-iodomethanesulfonamide is sourced from PubChem (CID 118574483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).