1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol

C8H15F3N2O3S — CID 112737678

IUPAC1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(CN)S(=O)(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O3S/c1-6(4-12)17(15,16)13-3-2-7(14,5-13)8(9,10)11/h6,14H,2-5,12H2,1H3
InChIKeyICWLFAWAVZHBTM-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.34
Rot. Bonds3

About 1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112737678) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112737678
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(CN)S(=O)(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O3S/c1-6(4-12)17(15,16)13-3-2-7(14,5-13)8(9,10)11/h6,14H,2-5,12H2,1H3
InChIKeyICWLFAWAVZHBTM-UHFFFAOYSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737677
1-Tert-butylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737857
3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 113356087
4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbutane-1-sulfonamide
CID 114759965
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
CID 114759997
4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 114760060
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide
CID 114760085
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylethanesulfonamide
CID 132372952
N-ethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrolidine-3-sulfonamide
CID 132373259
N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 136511710
1-(3,3-Dimethylbutylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 136528436
1-(1-Aminobutan-2-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103355757

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112737678) is 1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol is CC(CN)S(=O)(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is ICWLFAWAVZHBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-6(4-12)17(15,16)13-3-2-7(14,5-13)8(9,10)11/h6,14H,2-5,12H2,1H3.
What are the key properties of 1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 276.28 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112737678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).