(2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine

C9H19NO3S — CID 69110600

IUPAC(2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCC[C@@H]1COC
InChIInChI=1S/C9H19NO3S/c1-3-7-14(11,12)10-6-4-5-9(10)8-13-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyDGTXIOVXVWUXCN-SECBINFHSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds5

About (2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine

(2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine (PubChem CID 69110600) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine
PubChem CID69110600
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCC[C@@H]1COC
InChIInChI=1S/C9H19NO3S/c1-3-7-14(11,12)10-6-4-5-9(10)8-13-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyDGTXIOVXVWUXCN-SECBINFHSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine?
The IUPAC name of (2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine (CID 69110600) is (2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine is CCCS(=O)(=O)N1CCC[C@@H]1COC.
What is the InChIKey of (2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine?
The InChIKey is DGTXIOVXVWUXCN-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-7-14(11,12)10-6-4-5-9(10)8-13-2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine?
(2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine is sourced from PubChem (CID 69110600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).