1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol

C11H19F3N2O3S — CID 167903144

IUPAC1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESO=S(=O)(CCN1CCCC1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)10(17)3-6-16(9-10)20(18,19)8-7-15-4-1-2-5-15/h17H,1-9H2
InChIKeyVFSDADGHCYDGMQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.41
Rot. Bonds4

About 1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 167903144) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID167903144
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC Name1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESO=S(=O)(CCN1CCCC1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)10(17)3-6-16(9-10)20(18,19)8-7-15-4-1-2-5-15/h17H,1-9H2
InChIKeyVFSDADGHCYDGMQ-UHFFFAOYSA-N
XLogP0.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511
(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129321905
1-propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
methyl 6-(2-pyrrolidin-1-ylethylsulfonyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 167783712
1-[2-(2,6-difluorophenyl)ethylsulfonyl]-4-(trifluoromethyl)azepan-4-ol
CID 138037476
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
1-(2-bromoethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130524207
1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 121203305
(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97239536
methyl 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]sulfonylcyclohexane-1-carboxylate
CID 136532512
3-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 126774942
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
CID 126978498

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 167903144) is 1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol is O=S(=O)(CCN1CCCC1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is VFSDADGHCYDGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c12-11(13,14)10(17)3-6-16(9-10)20(18,19)8-7-15-4-1-2-5-15/h17H,1-9H2.
What are the key properties of 1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 316.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 167903144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).