3-methylpyrrolidine-1-sulfonyl chloride

C5H10ClNO2S — CID 61225769

IUPAC3-methylpyrrolidine-1-sulfonyl chloride
SMILESCC1CCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C5H10ClNO2S/c1-5-2-3-7(4-5)10(6,8)9/h5H,2-4H2,1H3
InChIKeyVHBMUTBWJORQJF-UHFFFAOYSA-N
MW183.66 g/mol
LogP0.81
Rot. Bonds1

About 3-methylpyrrolidine-1-sulfonyl chloride

3-methylpyrrolidine-1-sulfonyl chloride (PubChem CID 61225769) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is 3-methylpyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methylpyrrolidine-1-sulfonyl chloride
PubChem CID61225769
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name3-methylpyrrolidine-1-sulfonyl chloride
SMILESCC1CCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C5H10ClNO2S/c1-5-2-3-7(4-5)10(6,8)9/h5H,2-4H2,1H3
InChIKeyVHBMUTBWJORQJF-UHFFFAOYSA-N
XLogP0.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Pyrrolidinesulfonyl chloride
CID 6483902
N,N-bis(3-methylbutyl)sulfamoyl chloride
CID 16769428
(3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride
CID 157345549
3-(Fluoromethyl)pyrrolidine-1-sulfonyl chloride
CID 165491198
3-Methyl-1-methylsulfonylpyrrolidine
CID 20752922
3-Methylpyrrolidine-1-sulfonamide
CID 20752923
(3S)-3-methyl-1-methylsulfonylpyrrolidine
CID 58959834
(3R)-3-methyl-1-methylsulfonylpyrrolidine
CID 58959895
3-Propylpyrrolidine-1-sulfonyl chloride
CID 59581698
(3S)-3-methylpyrrolidine-1-sulfinate
CID 89076766
3-Ethylpyrrolidine-1-sulfinate
CID 89116493
3-Methylpyrrolidine-1-sulfinate
CID 89262358

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolidine-1-sulfonyl chloride?
The IUPAC name of 3-methylpyrrolidine-1-sulfonyl chloride (CID 61225769) is 3-methylpyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 3-methylpyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 3-methylpyrrolidine-1-sulfonyl chloride is CC1CCN(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-methylpyrrolidine-1-sulfonyl chloride?
The InChIKey is VHBMUTBWJORQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2S/c1-5-2-3-7(4-5)10(6,8)9/h5H,2-4H2,1H3.
What are the key properties of 3-methylpyrrolidine-1-sulfonyl chloride?
3-methylpyrrolidine-1-sulfonyl chloride has a molecular weight of 183.66 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 61225769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).