N-iodo-3-methylsulfonylpropan-1-imine

C4H8INO2S — CID 173476736

IUPACN-iodo-3-methylsulfonylpropan-1-imine
SMILESCS(=O)(=O)CCC=NI
InChIInChI=1S/C4H8INO2S/c1-9(7,8)4-2-3-6-5/h3H,2,4H2,1H3
InChIKeyOJAMSVRUUVNXNA-UHFFFAOYSA-N
MW261.08 g/mol
LogP0.84
Rot. Bonds3

About N-iodo-3-methylsulfonylpropan-1-imine

N-iodo-3-methylsulfonylpropan-1-imine (PubChem CID 173476736) has the molecular formula C4H8INO2S and a molecular weight of 261.08 g/mol. Its IUPAC name is N-iodo-3-methylsulfonylpropan-1-imine.

Molecular Properties

Compound NameN-iodo-3-methylsulfonylpropan-1-imine
PubChem CID173476736
Molecular FormulaC4H8INO2S
Molecular Weight261.08 g/mol
Exact Mass260.93
IUPAC NameN-iodo-3-methylsulfonylpropan-1-imine
SMILESCS(=O)(=O)CCC=NI
InChIInChI=1S/C4H8INO2S/c1-9(7,8)4-2-3-6-5/h3H,2,4H2,1H3
InChIKeyOJAMSVRUUVNXNA-UHFFFAOYSA-N
XLogP0.84
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-iodo-3-methylsulfonylpropan-1-imine?
The IUPAC name of N-iodo-3-methylsulfonylpropan-1-imine (CID 173476736) is N-iodo-3-methylsulfonylpropan-1-imine.
What is the SMILES notation for N-iodo-3-methylsulfonylpropan-1-imine?
The canonical SMILES for N-iodo-3-methylsulfonylpropan-1-imine is CS(=O)(=O)CCC=NI.
What is the InChIKey of N-iodo-3-methylsulfonylpropan-1-imine?
The InChIKey is OJAMSVRUUVNXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO2S/c1-9(7,8)4-2-3-6-5/h3H,2,4H2,1H3.
What are the key properties of N-iodo-3-methylsulfonylpropan-1-imine?
N-iodo-3-methylsulfonylpropan-1-imine has a molecular weight of 261.08 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-3-methylsulfonylpropan-1-imine is sourced from PubChem (CID 173476736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).