[(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol

C7H15NO3S — CID 39086671

IUPAC[(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol
SMILESCCS(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C7H15NO3S/c1-2-12(10,11)8-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyMWDNNXQFEZJHIN-SSDOTTSWSA-N
MW193.27 g/mol
LogP-0.21
Rot. Bonds3

About [(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol

[(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol (PubChem CID 39086671) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is [(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol
PubChem CID39086671
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name[(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol
SMILESCCS(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C7H15NO3S/c1-2-12(10,11)8-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyMWDNNXQFEZJHIN-SSDOTTSWSA-N
XLogP-0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol (CID 39086671) is [(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol is CCS(=O)(=O)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol?
The InChIKey is MWDNNXQFEZJHIN-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-12(10,11)8-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of [(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol has a molecular weight of 193.27 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 39086671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).