[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol

C11H15NO3S — CID 15696145

IUPAC[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)N1CCC[C@H]1CO
InChIInChI=1S/C11H15NO3S/c13-9-10-5-4-8-12(10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2/t10-/m0/s1
InChIKeyVDRGQWKLTZSRAY-JTQLQIEISA-N
MW241.31 g/mol
LogP0.83
Rot. Bonds3

About [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol

[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 15696145) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol
PubChem CID15696145
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)N1CCC[C@H]1CO
InChIInChI=1S/C11H15NO3S/c13-9-10-5-4-8-12(10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2/t10-/m0/s1
InChIKeyVDRGQWKLTZSRAY-JTQLQIEISA-N
XLogP0.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol (CID 15696145) is [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol is O=S(=O)(c1ccccc1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is VDRGQWKLTZSRAY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3S/c13-9-10-5-4-8-12(10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2/t10-/m0/s1.
What are the key properties of [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 241.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 15696145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).