1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol

C10H16F3NO3S — CID 113318700

IUPAC1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESO=S(=O)(C1CCCC1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)9(15)5-6-14(7-9)18(16,17)8-3-1-2-4-8/h8,15H,1-7H2
InChIKeyUHGMTYZXKFTQTG-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.26
Rot. Bonds2

About 1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol

1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 113318700) has the molecular formula C10H16F3NO3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID113318700
Molecular FormulaC10H16F3NO3S
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC Name1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESO=S(=O)(C1CCCC1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)9(15)5-6-14(7-9)18(16,17)8-3-1-2-4-8/h8,15H,1-7H2
InChIKeyUHGMTYZXKFTQTG-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol
CID 110109025
1-(1-Aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737677
1-Tert-butylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737857
1-(2-Ethoxyethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113318699
3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 113356087
(3S)-1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol
CID 125018287
(3R)-1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol
CID 125018288
1-(Cyclohexylmethylsulfonyl)-3-(difluoromethyl)pyrrolidin-3-ol
CID 128583963
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylethanesulfonamide
CID 132372952
1-(3,3-Dimethylbutylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 136528436
1-(2-Pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 167903144
1-Butylsulfonyl-3-methylpyrrolidin-3-ol
CID 103871360

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 113318700) is 1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol is O=S(=O)(C1CCCC1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is UHGMTYZXKFTQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3S/c11-10(12,13)9(15)5-6-14(7-9)18(16,17)8-3-1-2-4-8/h8,15H,1-7H2.
What are the key properties of 1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 287.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 113318700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).