3,4-dimethylpyrrolidine-1-sulfonyl iodide

C6H12INO2S — CID 118527982

IUPAC3,4-dimethylpyrrolidine-1-sulfonyl iodide
SMILESCC1CN(S(=O)(=O)I)CC1C
InChIInChI=1S/C6H12INO2S/c1-5-3-8(4-6(5)2)11(7,9)10/h5-6H,3-4H2,1-2H3
InChIKeyZSDYGJZEAIBXAO-UHFFFAOYSA-N
MW289.14 g/mol
LogP1.25
Rot. Bonds1

About 3,4-dimethylpyrrolidine-1-sulfonyl iodide

3,4-dimethylpyrrolidine-1-sulfonyl iodide (PubChem CID 118527982) has the molecular formula C6H12INO2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 3,4-dimethylpyrrolidine-1-sulfonyl iodide.

Molecular Properties

Compound Name3,4-dimethylpyrrolidine-1-sulfonyl iodide
PubChem CID118527982
Molecular FormulaC6H12INO2S
Molecular Weight289.14 g/mol
Exact Mass288.96
IUPAC Name3,4-dimethylpyrrolidine-1-sulfonyl iodide
SMILESCC1CN(S(=O)(=O)I)CC1C
InChIInChI=1S/C6H12INO2S/c1-5-3-8(4-6(5)2)11(7,9)10/h5-6H,3-4H2,1-2H3
InChIKeyZSDYGJZEAIBXAO-UHFFFAOYSA-N
XLogP1.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylpyrrolidine-1-sulfonyl chloride
CID 61225769
(3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride
CID 157345549
3-Methylpyrrolidine-1-sulfonamide
CID 20752923
3,4-Dimethyl-1-methylsulfonylpyrrolidine
CID 21061710
(3R,4S)-3,4-dimethyl-1-methylsulfonylpyrrolidine
CID 58714731
(3S)-3-methylpyrrolidine-1-sulfinate
CID 89076766
3-Methylpyrrolidine-1-sulfinate
CID 89262358
(3R)-3-methylpyrrolidine-1-sulfonyl chloride
CID 98114710
(3R)-N,N,3-trimethylpyrrolidine-1-sulfonamide
CID 130360221
(3R)-3-methylpyrrolidine-1-sulfinate
CID 137525259
(3S,4S)-3,4-dimethyl-1-methylsulfonylpyrrolidine
CID 164835663
(3R)-3-methylpyrrolidine-1-sulfonamide
CID 174338471

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyrrolidine-1-sulfonyl iodide?
The IUPAC name of 3,4-dimethylpyrrolidine-1-sulfonyl iodide (CID 118527982) is 3,4-dimethylpyrrolidine-1-sulfonyl iodide.
What is the SMILES notation for 3,4-dimethylpyrrolidine-1-sulfonyl iodide?
The canonical SMILES for 3,4-dimethylpyrrolidine-1-sulfonyl iodide is CC1CN(S(=O)(=O)I)CC1C.
What is the InChIKey of 3,4-dimethylpyrrolidine-1-sulfonyl iodide?
The InChIKey is ZSDYGJZEAIBXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO2S/c1-5-3-8(4-6(5)2)11(7,9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethylpyrrolidine-1-sulfonyl iodide?
3,4-dimethylpyrrolidine-1-sulfonyl iodide has a molecular weight of 289.14 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyrrolidine-1-sulfonyl iodide is sourced from PubChem (CID 118527982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).