2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride

C6H12ClNO3S — CID 56698886

IUPAC2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride
SMILESCOCC1CCCN1S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO3S/c1-11-5-6-3-2-4-8(6)12(7,9)10/h6H,2-5H2,1H3
InChIKeyZLZQXGXZMQYGDJ-UHFFFAOYSA-N
MW213.69 g/mol
LogP0.58
Rot. Bonds3

About 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride

2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride (PubChem CID 56698886) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride
PubChem CID56698886
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride
SMILESCOCC1CCCN1S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO3S/c1-11-5-6-3-2-4-8(6)12(7,9)10/h6H,2-5H2,1H3
InChIKeyZLZQXGXZMQYGDJ-UHFFFAOYSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride?
The IUPAC name of 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride (CID 56698886) is 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride is COCC1CCCN1S(=O)(=O)Cl.
What is the InChIKey of 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride?
The InChIKey is ZLZQXGXZMQYGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c1-11-5-6-3-2-4-8(6)12(7,9)10/h6H,2-5H2,1H3.
What are the key properties of 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride?
2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride has a molecular weight of 213.69 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 56698886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).