2-[[iodomethyl(methyl)sulfamoyl]amino]propane

C5H13IN2O2S — CID 138623255

IUPAC2-[[iodomethyl(methyl)sulfamoyl]amino]propane
SMILESCC(C)NS(=O)(=O)N(C)CI
InChIInChI=1S/C5H13IN2O2S/c1-5(2)7-11(9,10)8(3)4-6/h5,7H,4H2,1-3H3
InChIKeyPZSIHDSXPLPIDI-UHFFFAOYSA-N
MW292.14 g/mol
LogP0.55
Rot. Bonds4

About 2-[[iodomethyl(methyl)sulfamoyl]amino]propane

2-[[iodomethyl(methyl)sulfamoyl]amino]propane (PubChem CID 138623255) has the molecular formula C5H13IN2O2S and a molecular weight of 292.14 g/mol. Its IUPAC name is 2-[[iodomethyl(methyl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name2-[[iodomethyl(methyl)sulfamoyl]amino]propane
PubChem CID138623255
Molecular FormulaC5H13IN2O2S
Molecular Weight292.14 g/mol
Exact Mass291.97
IUPAC Name2-[[iodomethyl(methyl)sulfamoyl]amino]propane
SMILESCC(C)NS(=O)(=O)N(C)CI
InChIInChI=1S/C5H13IN2O2S/c1-5(2)7-11(9,10)8(3)4-6/h5,7H,4H2,1-3H3
InChIKeyPZSIHDSXPLPIDI-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 50.55
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[iodomethyl(methyl)sulfamoyl]amino]propane?
The IUPAC name of 2-[[iodomethyl(methyl)sulfamoyl]amino]propane (CID 138623255) is 2-[[iodomethyl(methyl)sulfamoyl]amino]propane.
What is the SMILES notation for 2-[[iodomethyl(methyl)sulfamoyl]amino]propane?
The canonical SMILES for 2-[[iodomethyl(methyl)sulfamoyl]amino]propane is CC(C)NS(=O)(=O)N(C)CI.
What is the InChIKey of 2-[[iodomethyl(methyl)sulfamoyl]amino]propane?
The InChIKey is PZSIHDSXPLPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13IN2O2S/c1-5(2)7-11(9,10)8(3)4-6/h5,7H,4H2,1-3H3.
What are the key properties of 2-[[iodomethyl(methyl)sulfamoyl]amino]propane?
2-[[iodomethyl(methyl)sulfamoyl]amino]propane has a molecular weight of 292.14 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[iodomethyl(methyl)sulfamoyl]amino]propane is sourced from PubChem (CID 138623255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).