1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine

C7H14ClNO2S — CID 63664374

IUPAC1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1S(=O)(=O)CCl
InChIInChI=1S/C7H14ClNO2S/c1-7(2)4-3-5-9(7)12(10,11)6-8/h3-6H2,1-2H3
InChIKeyLAPFIHKEEMZGCE-UHFFFAOYSA-N
MW211.71 g/mol
LogP1.39
Rot. Bonds2

About 1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine

1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine (PubChem CID 63664374) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine
PubChem CID63664374
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1S(=O)(=O)CCl
InChIInChI=1S/C7H14ClNO2S/c1-7(2)4-3-5-9(7)12(10,11)6-8/h3-6H2,1-2H3
InChIKeyLAPFIHKEEMZGCE-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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

2,2-Dimethylpyrrolidine-1-sulfonyl chloride
CID 63219374
2,2-Dimethyl-1-methylsulfonylpyrrolidine
CID 63222099
2,2,4-Trimethyl-1-methylsulfonylpyrrolidine
CID 126995484
1-Chloromethanesulfonyl-2-methylpyrrolidine
CID 63666631
1-((Chloromethyl)sulfonyl)-2-ethylpyrrolidine
CID 63666632
1-Chloromethanesulfonyl-3-methylpyrrolidine
CID 63666848
1-(Chloromethylsulfonyl)-2-propan-2-ylpyrrolidine
CID 65706847
1-(2-Chloroethylsulfonyl)-2,2-dimethylpyrrolidine
CID 65764154
1-(Bromomethylsulfonyl)-2,2-dimethylpyrrolidine
CID 83086894
1-(Chloromethylsulfonyl)-3-propan-2-ylpyrrolidine
CID 104489638
1-Chloromethanesulfonyl-3-ethylpyrrolidine
CID 104489642
1-(Chloromethylsulfonyl)-3-propylpyrrolidine
CID 104489645

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine (CID 63664374) is 1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine is CC1(C)CCCN1S(=O)(=O)CCl.
What is the InChIKey of 1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine?
The InChIKey is LAPFIHKEEMZGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-7(2)4-3-5-9(7)12(10,11)6-8/h3-6H2,1-2H3.
What are the key properties of 1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine?
1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine has a molecular weight of 211.71 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethylsulfonyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 63664374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).