2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine

C7H14ClNO2S — CID 102788454

IUPAC2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine
SMILESCC1CCN(S(C)(=O)=O)C1CCl
InChIInChI=1S/C7H14ClNO2S/c1-6-3-4-9(7(6)5-8)12(2,10)11/h6-7H,3-5H2,1-2H3
InChIKeyJGNDWQYFDWNTSD-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.90
Rot. Bonds2

About 2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine

2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine (PubChem CID 102788454) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine
PubChem CID102788454
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine
SMILESCC1CCN(S(C)(=O)=O)C1CCl
InChIInChI=1S/C7H14ClNO2S/c1-6-3-4-9(7(6)5-8)12(2,10)11/h6-7H,3-5H2,1-2H3
InChIKeyJGNDWQYFDWNTSD-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine
CID 102788524
3-Chloro-1-(difluoromethylsulfonyl)-4-ethylpyrrolidine
CID 130825996
2-(Chloromethyl)-5-methyl-1-methylsulfonylpyrrolidine
CID 59877324
2-(2-Chloroethyl)-1-methylsulfonylpyrrolidine
CID 69815932
(2S)-2-(chloromethyl)-1-methylsulfonylpyrrolidine
CID 28347799
(2S)-2-(chloromethyl)-1-ethylsulfonylpyrrolidine
CID 28347800
2-(Chloromethyl)-1-methylsulfonylpyrrolidine
CID 63397556
2-(Chloromethyl)-1-ethylsulfonylpyrrolidine
CID 63397648
3-(Chloromethyl)-1-methanesulfonylpyrrolidine
CID 63400760
2-(Chloromethyl)-1-(3-methylbutylsulfonyl)pyrrolidine
CID 63857355
2-(Chloromethyl)-1-(2-methylpropane-1-sulfonyl)pyrrolidine
CID 64479677
2-(Chloromethyl)-3-methyl-1-propan-2-ylsulfonylpyrrolidine
CID 102788463

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine?
The IUPAC name of 2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine (CID 102788454) is 2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine is CC1CCN(S(C)(=O)=O)C1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine?
The InChIKey is JGNDWQYFDWNTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-6-3-4-9(7(6)5-8)12(2,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine?
2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine has a molecular weight of 211.71 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 102788454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).