(2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine

C8H17NO3S — CID 123244830

IUPAC(2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine
SMILESCCS(=O)(=O)[C@@H](OC)[C@@H]1CCCN1
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)8(12-2)7-5-4-6-9-7/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyFGVVBNOAFVNVMG-JGVFFNPUSA-N
MW207.29 g/mol
LogP0.15
Rot. Bonds4

About (2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine

(2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine (PubChem CID 123244830) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine
PubChem CID123244830
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine
SMILESCCS(=O)(=O)[C@@H](OC)[C@@H]1CCCN1
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)8(12-2)7-5-4-6-9-7/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyFGVVBNOAFVNVMG-JGVFFNPUSA-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 (2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine?
The IUPAC name of (2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine (CID 123244830) is (2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine is CCS(=O)(=O)[C@@H](OC)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine?
The InChIKey is FGVVBNOAFVNVMG-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-13(10,11)8(12-2)7-5-4-6-9-7/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine?
(2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]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 (2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine is sourced from PubChem (CID 123244830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).