(2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine

C8H17NO3S — CID 12027298

IUPAC(2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCCS(=O)(=O)N1CCC[C@H]1COC
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9-6-4-5-8(9)7-12-2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyDEQXTZXOMDAPQK-QMMMGPOBSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds4

About (2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine

(2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine (PubChem CID 12027298) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine
PubChem CID12027298
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCCS(=O)(=O)N1CCC[C@H]1COC
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9-6-4-5-8(9)7-12-2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyDEQXTZXOMDAPQK-QMMMGPOBSA-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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Related Compounds

Propane-1-sulfonic acid (R)-1-(propane-1-sulfonyl)-pyrrolidin-2-ylmethyl ester
CID 59547752
[1-(2-Ethoxyethyl)pyrrolidin-2-yl]methanesulfonamide
CID 72001484
N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]-2-methoxy-N-methylethanamine
CID 53553598
(2S,4S)-4-methoxy-2-(methoxymethyl)-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine
CID 137845582
[(2S,4S)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 137846458
[(2S)-1-ethylsulfonylpyrrolidin-2-yl]methanol
CID 28345645
(2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine
CID 58689166
[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
CID 59654487
[(2R)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
CID 59654556
2-(Methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine
CID 59877332
(1-Propan-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61409013
N-methyl-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 64585156

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine (CID 12027298) is (2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine is CCS(=O)(=O)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine?
The InChIKey is DEQXTZXOMDAPQK-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine?
(2S)-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 (2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 12027298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).