1-(chloromethylsulfonyl)-2-ethylpyrrolidine

C7H14ClNO2S — CID 63666632

IUPAC1-(chloromethylsulfonyl)-2-ethylpyrrolidine
SMILESCCC1CCCN1S(=O)(=O)CCl
InChIInChI=1S/C7H14ClNO2S/c1-2-7-4-3-5-9(7)12(10,11)6-8/h7H,2-6H2,1H3
InChIKeyTWPVQYDDJVTKME-UHFFFAOYSA-N
MW211.71 g/mol
LogP1.39
Rot. Bonds3

About 1-(chloromethylsulfonyl)-2-ethylpyrrolidine

1-(chloromethylsulfonyl)-2-ethylpyrrolidine (PubChem CID 63666632) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 1-(chloromethylsulfonyl)-2-ethylpyrrolidine.

Molecular Properties

Compound Name1-(chloromethylsulfonyl)-2-ethylpyrrolidine
PubChem CID63666632
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name1-(chloromethylsulfonyl)-2-ethylpyrrolidine
SMILESCCC1CCCN1S(=O)(=O)CCl
InChIInChI=1S/C7H14ClNO2S/c1-2-7-4-3-5-9(7)12(10,11)6-8/h7H,2-6H2,1H3
InChIKeyTWPVQYDDJVTKME-UHFFFAOYSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine
CID 79585022
1-(chloromethylsulfonyl)-2,3-dimethylpiperidine
CID 63666234
(2R)-2-ethyl-1-ethylsulfonylazetidine
CID 174287718
methyl 2-[1-(chloromethylsulfonyl)piperidin-2-yl]acetate
CID 63665399
4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine
CID 54885840
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
(2S)-2-ethyl-1-(2-ethylbutylsulfonyl)azepane
CID 99809995
[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 54885835
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethylsulfonyl)-2-ethylpyrrolidine?
The IUPAC name of 1-(chloromethylsulfonyl)-2-ethylpyrrolidine (CID 63666632) is 1-(chloromethylsulfonyl)-2-ethylpyrrolidine.
What is the SMILES notation for 1-(chloromethylsulfonyl)-2-ethylpyrrolidine?
The canonical SMILES for 1-(chloromethylsulfonyl)-2-ethylpyrrolidine is CCC1CCCN1S(=O)(=O)CCl.
What is the InChIKey of 1-(chloromethylsulfonyl)-2-ethylpyrrolidine?
The InChIKey is TWPVQYDDJVTKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-2-7-4-3-5-9(7)12(10,11)6-8/h7H,2-6H2,1H3.
What are the key properties of 1-(chloromethylsulfonyl)-2-ethylpyrrolidine?
1-(chloromethylsulfonyl)-2-ethylpyrrolidine has a molecular weight of 211.71 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethylsulfonyl)-2-ethylpyrrolidine is sourced from PubChem (CID 63666632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).