(3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol

C6H10F3NO3S — CID 97217919

IUPAC(3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCS(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO3S/c1-14(12,13)10-3-2-5(11,4-10)6(7,8)9/h11H,2-4H2,1H3/t5-/m0/s1
InChIKeyOJRZDYGWEDGTCX-YFKPBYRVSA-N
MW233.21 g/mol
LogP-0.05
Rot. Bonds1

About (3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol

(3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 97217919) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID97217919
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Name(3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCS(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO3S/c1-14(12,13)10-3-2-5(11,4-10)6(7,8)9/h11H,2-4H2,1H3/t5-/m0/s1
InChIKeyOJRZDYGWEDGTCX-YFKPBYRVSA-N
XLogP-0.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79386798
1-Methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 86769483
(3R)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97217918
3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 103357540
1-(Difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871370
1-Tert-butylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737857
3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 113356087
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
CID 114759997
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide
CID 114760085
3-Hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide
CID 130161631
1-(Difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol
CID 130694886
1-(Difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol
CID 130921630

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 97217919) is (3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol is CS(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1.
What is the InChIKey of (3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is OJRZDYGWEDGTCX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c1-14(12,13)10-3-2-5(11,4-10)6(7,8)9/h11H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
(3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 233.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97217919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).