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

C10H21NO3S — CID 103857735

IUPAC[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol
SMILESCCCS(=O)(=O)CCN1CCC[C@H]1CO
InChIInChI=1S/C10H21NO3S/c1-2-7-15(13,14)8-6-11-5-3-4-10(11)9-12/h10,12H,2-9H2,1H3/t10-/m0/s1
InChIKeyIFDRDVFRWKRYRG-JTQLQIEISA-N
MW235.35 g/mol
LogP0.27
Rot. Bonds6

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

[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol (PubChem CID 103857735) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is [(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol
PubChem CID103857735
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol
SMILESCCCS(=O)(=O)CCN1CCC[C@H]1CO
InChIInChI=1S/C10H21NO3S/c1-2-7-15(13,14)8-6-11-5-3-4-10(11)9-12/h10,12H,2-9H2,1H3/t10-/m0/s1
InChIKeyIFDRDVFRWKRYRG-JTQLQIEISA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid
CID 142779495
2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 106725781
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
[(2R)-1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 115277584
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine
CID 106731157
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol (CID 103857735) is [(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol is CCCS(=O)(=O)CCN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol?
The InChIKey is IFDRDVFRWKRYRG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-7-15(13,14)8-6-11-5-3-4-10(11)9-12/h10,12H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol has a molecular weight of 235.35 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103857735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).