(1-methylpyrrolidin-2-yl)methanesulfonyl chloride

C6H12ClNO2S — CID 127010204

IUPAC(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
SMILESCN1CCCC1CS(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO2S/c1-8-4-2-3-6(8)5-11(7,9)10/h6H,2-5H2,1H3
InChIKeyGUOLNBSFBFSLCD-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.65
Rot. Bonds2

About (1-methylpyrrolidin-2-yl)methanesulfonyl chloride

(1-methylpyrrolidin-2-yl)methanesulfonyl chloride (PubChem CID 127010204) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
PubChem CID127010204
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
SMILESCN1CCCC1CS(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO2S/c1-8-4-2-3-6(8)5-11(7,9)10/h6H,2-5H2,1H3
InChIKeyGUOLNBSFBFSLCD-UHFFFAOYSA-N
XLogP0.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
(Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride
CID 117265916
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
1-methyl-2-(nitrosomethyl)pyrrolidine
CID 142961038
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
(2S)-2-(benzylsulfonylmethyl)-1-methylpyrrolidine
CID 174401893
1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 103270071

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-2-yl)methanesulfonyl chloride?
The IUPAC name of (1-methylpyrrolidin-2-yl)methanesulfonyl chloride (CID 127010204) is (1-methylpyrrolidin-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)methanesulfonyl chloride?
The canonical SMILES for (1-methylpyrrolidin-2-yl)methanesulfonyl chloride is CN1CCCC1CS(=O)(=O)Cl.
What is the InChIKey of (1-methylpyrrolidin-2-yl)methanesulfonyl chloride?
The InChIKey is GUOLNBSFBFSLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-8-4-2-3-6(8)5-11(7,9)10/h6H,2-5H2,1H3.
What are the key properties of (1-methylpyrrolidin-2-yl)methanesulfonyl chloride?
(1-methylpyrrolidin-2-yl)methanesulfonyl chloride has a molecular weight of 197.69 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 127010204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).