2-(1-methoxyethylsulfonylmethyl)pyrrolidine

C8H17NO3S — CID 174877138

IUPAC2-(1-methoxyethylsulfonylmethyl)pyrrolidine
SMILESCOC(C)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C8H17NO3S/c1-7(12-2)13(10,11)6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3
InChIKeyJFICONXOHIIWHP-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.15
Rot. Bonds4

About 2-(1-methoxyethylsulfonylmethyl)pyrrolidine

2-(1-methoxyethylsulfonylmethyl)pyrrolidine (PubChem CID 174877138) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(1-methoxyethylsulfonylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-methoxyethylsulfonylmethyl)pyrrolidine
PubChem CID174877138
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(1-methoxyethylsulfonylmethyl)pyrrolidine
SMILESCOC(C)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C8H17NO3S/c1-7(12-2)13(10,11)6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3
InChIKeyJFICONXOHIIWHP-UHFFFAOYSA-N
XLogP0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethylsulfonylmethyl)pyrrolidine?
The IUPAC name of 2-(1-methoxyethylsulfonylmethyl)pyrrolidine (CID 174877138) is 2-(1-methoxyethylsulfonylmethyl)pyrrolidine.
What is the SMILES notation for 2-(1-methoxyethylsulfonylmethyl)pyrrolidine?
The canonical SMILES for 2-(1-methoxyethylsulfonylmethyl)pyrrolidine is COC(C)S(=O)(=O)CC1CCCN1.
What is the InChIKey of 2-(1-methoxyethylsulfonylmethyl)pyrrolidine?
The InChIKey is JFICONXOHIIWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(12-2)13(10,11)6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(1-methoxyethylsulfonylmethyl)pyrrolidine?
2-(1-methoxyethylsulfonylmethyl)pyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethylsulfonylmethyl)pyrrolidine is sourced from PubChem (CID 174877138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).