1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine

C8H17NO3S — CID 71325169

IUPAC1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCCS(=O)(=O)N1CCCC1COC
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9-6-4-5-8(9)7-12-2/h8H,3-7H2,1-2H3
InChIKeyDEQXTZXOMDAPQK-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds4

About 1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine

1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine (PubChem CID 71325169) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine
PubChem CID71325169
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCCS(=O)(=O)N1CCCC1COC
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9-6-4-5-8(9)7-12-2/h8H,3-7H2,1-2H3
InChIKeyDEQXTZXOMDAPQK-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine (CID 71325169) is 1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine is CCS(=O)(=O)N1CCCC1COC.
What is the InChIKey of 1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine?
The InChIKey is DEQXTZXOMDAPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-13(10,11)9-6-4-5-8(9)7-12-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine?
1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 71325169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).