(3R)-1-ethylsulfonyl-3-methoxypyrrolidine

C7H15NO3S — CID 123868571

IUPAC(3R)-1-ethylsulfonyl-3-methoxypyrrolidine
SMILESCCS(=O)(=O)N1CC[C@@H](OC)C1
InChIInChI=1S/C7H15NO3S/c1-3-12(9,10)8-5-4-7(6-8)11-2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyWHBMYHAWEKZXNP-SSDOTTSWSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds3

About (3R)-1-ethylsulfonyl-3-methoxypyrrolidine

(3R)-1-ethylsulfonyl-3-methoxypyrrolidine (PubChem CID 123868571) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (3R)-1-ethylsulfonyl-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3R)-1-ethylsulfonyl-3-methoxypyrrolidine
PubChem CID123868571
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(3R)-1-ethylsulfonyl-3-methoxypyrrolidine
SMILESCCS(=O)(=O)N1CC[C@@H](OC)C1
InChIInChI=1S/C7H15NO3S/c1-3-12(9,10)8-5-4-7(6-8)11-2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyWHBMYHAWEKZXNP-SSDOTTSWSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethylsulfonyl-3-methoxypyrrolidine?
The IUPAC name of (3R)-1-ethylsulfonyl-3-methoxypyrrolidine (CID 123868571) is (3R)-1-ethylsulfonyl-3-methoxypyrrolidine.
What is the SMILES notation for (3R)-1-ethylsulfonyl-3-methoxypyrrolidine?
The canonical SMILES for (3R)-1-ethylsulfonyl-3-methoxypyrrolidine is CCS(=O)(=O)N1CC[C@@H](OC)C1.
What is the InChIKey of (3R)-1-ethylsulfonyl-3-methoxypyrrolidine?
The InChIKey is WHBMYHAWEKZXNP-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-3-12(9,10)8-5-4-7(6-8)11-2/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-1-ethylsulfonyl-3-methoxypyrrolidine?
(3R)-1-ethylsulfonyl-3-methoxypyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethylsulfonyl-3-methoxypyrrolidine is sourced from PubChem (CID 123868571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).