2,2-dimethylpyrrolidine-1-sulfonyl chloride

C6H12ClNO2S — CID 63219374

IUPAC2,2-dimethylpyrrolidine-1-sulfonyl chloride
SMILESCC1(C)CCCN1S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO2S/c1-6(2)4-3-5-8(6)11(7,9)10/h3-5H2,1-2H3
InChIKeyPXBYYPHEHRTKDY-UHFFFAOYSA-N
MW197.69 g/mol
LogP1.34
Rot. Bonds1

About 2,2-dimethylpyrrolidine-1-sulfonyl chloride

2,2-dimethylpyrrolidine-1-sulfonyl chloride (PubChem CID 63219374) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 2,2-dimethylpyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2,2-dimethylpyrrolidine-1-sulfonyl chloride
PubChem CID63219374
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name2,2-dimethylpyrrolidine-1-sulfonyl chloride
SMILESCC1(C)CCCN1S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO2S/c1-6(2)4-3-5-8(6)11(7,9)10/h3-5H2,1-2H3
InChIKeyPXBYYPHEHRTKDY-UHFFFAOYSA-N
XLogP1.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylpyrrolidine-1-sulfonyl chloride
CID 60974846
3-Propylpyrrolidine-1-sulfonyl chloride
CID 59581698
2,2-Dimethylpyrrolidine-1-sulfonamide
CID 63217460
2,2-Dimethyl-1-methylsulfonylpyrrolidine
CID 63222099
2,4-Dimethylpyrrolidine-1-sulfinate
CID 89262211
(R)-3-Ethylpyrrolidine-1-sulfonyl chloride
CID 165150021
1-Chloromethanesulfonyl-2,2-dimethylpyrrolidine
CID 63664374
2-Propan-2-ylpyrrolidine-1-sulfonyl chloride
CID 65714499
(2R)-2-methylpyrrolidine-1-sulfonyl chloride
CID 98116154
(2S)-2-methylpyrrolidine-1-sulfonyl chloride
CID 98116156
3-Propan-2-ylpyrrolidine-1-sulfonyl chloride
CID 104480800
3-Ethylpyrrolidine-1-sulfonyl chloride
CID 104480801

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpyrrolidine-1-sulfonyl chloride?
The IUPAC name of 2,2-dimethylpyrrolidine-1-sulfonyl chloride (CID 63219374) is 2,2-dimethylpyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 2,2-dimethylpyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 2,2-dimethylpyrrolidine-1-sulfonyl chloride is CC1(C)CCCN1S(=O)(=O)Cl.
What is the InChIKey of 2,2-dimethylpyrrolidine-1-sulfonyl chloride?
The InChIKey is PXBYYPHEHRTKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-6(2)4-3-5-8(6)11(7,9)10/h3-5H2,1-2H3.
What are the key properties of 2,2-dimethylpyrrolidine-1-sulfonyl chloride?
2,2-dimethylpyrrolidine-1-sulfonyl chloride has a molecular weight of 197.69 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 63219374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).