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

C6H12ClNO3S — CID 98091792

IUPAC(2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride
SMILESCOC[C@H]1CCCN1S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO3S/c1-11-5-6-3-2-4-8(6)12(7,9)10/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyZLZQXGXZMQYGDJ-ZCFIWIBFSA-N
MW213.69 g/mol
LogP0.58
Rot. Bonds3

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

(2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride (PubChem CID 98091792) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride
PubChem CID98091792
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name(2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride
SMILESCOC[C@H]1CCCN1S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO3S/c1-11-5-6-3-2-4-8(6)12(7,9)10/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyZLZQXGXZMQYGDJ-ZCFIWIBFSA-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 (2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride?
The IUPAC name of (2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride (CID 98091792) is (2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride is COC[C@H]1CCCN1S(=O)(=O)Cl.
What is the InChIKey of (2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride?
The InChIKey is ZLZQXGXZMQYGDJ-ZCFIWIBFSA-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/t6-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride?
(2R)-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 (2R)-2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 98091792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).