(1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol

C7H14FNO3S — CID 127002235

IUPAC(1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol
SMILESCCS(=O)(=O)N1CC(F)CC1CO
InChIInChI=1S/C7H14FNO3S/c1-2-13(11,12)9-4-6(8)3-7(9)5-10/h6-7,10H,2-5H2,1H3
InChIKeyMGPRVPIXYDXKNZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.26
Rot. Bonds3

About (1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol

(1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol (PubChem CID 127002235) has the molecular formula C7H14FNO3S and a molecular weight of 211.26 g/mol. Its IUPAC name is (1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol
PubChem CID127002235
Molecular FormulaC7H14FNO3S
Molecular Weight211.26 g/mol
Exact Mass211.07
IUPAC Name(1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol
SMILESCCS(=O)(=O)N1CC(F)CC1CO
InChIInChI=1S/C7H14FNO3S/c1-2-13(11,12)9-4-6(8)3-7(9)5-10/h6-7,10H,2-5H2,1H3
InChIKeyMGPRVPIXYDXKNZ-UHFFFAOYSA-N
XLogP-0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Hydroxymethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982013
(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidine-3-sulfonyl fluoride
CID 176257926
(1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 102174651
[1-(Difluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 61408979
[1-(Trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409066
[(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 66261725
[(2R)-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 66261990
[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 75387077
[(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79028201
[(2S)-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79028416
[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83058643
[(2R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83059715

Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol?
The IUPAC name of (1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol (CID 127002235) is (1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol?
The canonical SMILES for (1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol is CCS(=O)(=O)N1CC(F)CC1CO.
What is the InChIKey of (1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol?
The InChIKey is MGPRVPIXYDXKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3S/c1-2-13(11,12)9-4-6(8)3-7(9)5-10/h6-7,10H,2-5H2,1H3.
What are the key properties of (1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol?
(1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol has a molecular weight of 211.26 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol is sourced from PubChem (CID 127002235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).