N-iodo-N-methyl-2-methylsulfonylethanamine

C4H10INO2S — CID 130371768

IUPACN-iodo-N-methyl-2-methylsulfonylethanamine
SMILESCN(I)CCS(C)(=O)=O
InChIInChI=1S/C4H10INO2S/c1-6(5)3-4-9(2,7)8/h3-4H2,1-2H3
InChIKeyIOHGPHUADKLVAV-UHFFFAOYSA-N
MW263.10 g/mol
LogP0.31
Rot. Bonds3

About N-iodo-N-methyl-2-methylsulfonylethanamine

N-iodo-N-methyl-2-methylsulfonylethanamine (PubChem CID 130371768) has the molecular formula C4H10INO2S and a molecular weight of 263.10 g/mol. Its IUPAC name is N-iodo-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-iodo-N-methyl-2-methylsulfonylethanamine
PubChem CID130371768
Molecular FormulaC4H10INO2S
Molecular Weight263.10 g/mol
Exact Mass262.95
IUPAC NameN-iodo-N-methyl-2-methylsulfonylethanamine
SMILESCN(I)CCS(C)(=O)=O
InChIInChI=1S/C4H10INO2S/c1-6(5)3-4-9(2,7)8/h3-4H2,1-2H3
InChIKeyIOHGPHUADKLVAV-UHFFFAOYSA-N
XLogP0.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of N-iodo-N-methyl-2-methylsulfonylethanamine (CID 130371768) is N-iodo-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for N-iodo-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for N-iodo-N-methyl-2-methylsulfonylethanamine is CN(I)CCS(C)(=O)=O.
What is the InChIKey of N-iodo-N-methyl-2-methylsulfonylethanamine?
The InChIKey is IOHGPHUADKLVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10INO2S/c1-6(5)3-4-9(2,7)8/h3-4H2,1-2H3.
What are the key properties of N-iodo-N-methyl-2-methylsulfonylethanamine?
N-iodo-N-methyl-2-methylsulfonylethanamine has a molecular weight of 263.10 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 130371768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).