2-iodo-2-methyl-1-methylsulfonylpyrrolidine

C6H12INO2S — CID 126631454

IUPAC2-iodo-2-methyl-1-methylsulfonylpyrrolidine
SMILESCC1(I)CCCN1S(C)(=O)=O
InChIInChI=1S/C6H12INO2S/c1-6(7)4-3-5-8(6)11(2,9)10/h3-5H2,1-2H3
InChIKeyFJDYXWSBHIHYIG-UHFFFAOYSA-N
MW289.14 g/mol
LogP1.19
Rot. Bonds1

About 2-iodo-2-methyl-1-methylsulfonylpyrrolidine

2-iodo-2-methyl-1-methylsulfonylpyrrolidine (PubChem CID 126631454) has the molecular formula C6H12INO2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-iodo-2-methyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-iodo-2-methyl-1-methylsulfonylpyrrolidine
PubChem CID126631454
Molecular FormulaC6H12INO2S
Molecular Weight289.14 g/mol
Exact Mass288.96
IUPAC Name2-iodo-2-methyl-1-methylsulfonylpyrrolidine
SMILESCC1(I)CCCN1S(C)(=O)=O
InChIInChI=1S/C6H12INO2S/c1-6(7)4-3-5-8(6)11(2,9)10/h3-5H2,1-2H3
InChIKeyFJDYXWSBHIHYIG-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 50
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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Related Compounds

2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide
CID 130729612
(4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one
CID 134396434
1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131662776
1-ethylsulfonyl-2,2-dimethylpyrrolidine
CID 63222055
1-(bromomethylsulfonyl)-2,2-dimethylpyrrolidine
CID 83086894
1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 121229647
2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 82838547
(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393507
1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 145377897
2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131641583
3,3-difluoro-1-methylsulfonylpiperidine
CID 164644528
3,3-dimethyl-4-methylsulfonylthiomorpholine
CID 130677346

Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-methyl-1-methylsulfonylpyrrolidine?
The IUPAC name of 2-iodo-2-methyl-1-methylsulfonylpyrrolidine (CID 126631454) is 2-iodo-2-methyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-iodo-2-methyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2-iodo-2-methyl-1-methylsulfonylpyrrolidine is CC1(I)CCCN1S(C)(=O)=O.
What is the InChIKey of 2-iodo-2-methyl-1-methylsulfonylpyrrolidine?
The InChIKey is FJDYXWSBHIHYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO2S/c1-6(7)4-3-5-8(6)11(2,9)10/h3-5H2,1-2H3.
What are the key properties of 2-iodo-2-methyl-1-methylsulfonylpyrrolidine?
2-iodo-2-methyl-1-methylsulfonylpyrrolidine has a molecular weight of 289.14 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-methyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 126631454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).