(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol

C5H9F2NO3S — CID 79030730

IUPAC(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(C(F)F)N1CC[C@H](O)C1
InChIInChI=1S/C5H9F2NO3S/c6-5(7)12(10,11)8-2-1-4(9)3-8/h4-5,9H,1-3H2/t4-/m0/s1
InChIKeyAOJPROQRBRGLLT-BYPYZUCNSA-N
MW201.19 g/mol
LogP-0.39
Rot. Bonds2

About (3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol

(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol (PubChem CID 79030730) has the molecular formula C5H9F2NO3S and a molecular weight of 201.19 g/mol. Its IUPAC name is (3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
PubChem CID79030730
Molecular FormulaC5H9F2NO3S
Molecular Weight201.19 g/mol
Exact Mass201.03
IUPAC Name(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(C(F)F)N1CC[C@H](O)C1
InChIInChI=1S/C5H9F2NO3S/c6-5(7)12(10,11)8-2-1-4(9)3-8/h4-5,9H,1-3H2/t4-/m0/s1
InChIKeyAOJPROQRBRGLLT-BYPYZUCNSA-N
XLogP-0.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane
CID 176666025
(3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol
CID 130618905
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3R)-1-cyclopropylsulfonylpyrrolidin-3-ol
CID 79030804
methyl 2-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpropanoate
CID 79031111
(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 79031701
3-hydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62917299
(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-ol
CID 66291550
4-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine
CID 80668701
1-(difluoromethylsulfonyl)pyrrolidine
CID 58435998
1-(difluoromethylsulfonyl)-3-methylpiperazine
CID 65450334

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol (CID 79030730) is (3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol is O=S(=O)(C(F)F)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is AOJPROQRBRGLLT-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9F2NO3S/c6-5(7)12(10,11)8-2-1-4(9)3-8/h4-5,9H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol?
(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 201.19 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 79030730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).