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

C8H17NO3S — CID 39086672

IUPAC[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol
SMILESCCCS(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C8H17NO3S/c1-2-6-13(11,12)9-5-3-4-8(9)7-10/h8,10H,2-7H2,1H3/t8-/m1/s1
InChIKeyKEIKRPDRXRJGDW-MRVPVSSYSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds4

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

[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol (PubChem CID 39086672) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol
PubChem CID39086672
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol
SMILESCCCS(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C8H17NO3S/c1-2-6-13(11,12)9-5-3-4-8(9)7-10/h8,10H,2-7H2,1H3/t8-/m1/s1
InChIKeyKEIKRPDRXRJGDW-MRVPVSSYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol (CID 39086672) is [(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol is CCCS(=O)(=O)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol?
The InChIKey is KEIKRPDRXRJGDW-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-6-13(11,12)9-5-3-4-8(9)7-10/h8,10H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of [(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-propylsulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 39086672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).