(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol

C8H16FNO3S — CID 161168448

IUPAC(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
SMILESCC(C)CS(=O)(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C8H16FNO3S/c1-6(2)5-14(12,13)10-3-7(9)8(11)4-10/h6-8,11H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyUQWCHYSBTIAGHC-YUMQZZPRSA-N
MW225.28 g/mol
LogP-0.01
Rot. Bonds3

About (3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol

(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol (PubChem CID 161168448) has the molecular formula C8H16FNO3S and a molecular weight of 225.28 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
PubChem CID161168448
Molecular FormulaC8H16FNO3S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
SMILESCC(C)CS(=O)(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C8H16FNO3S/c1-6(2)5-14(12,13)10-3-7(9)8(11)4-10/h6-8,11H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyUQWCHYSBTIAGHC-YUMQZZPRSA-N
XLogP-0.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
CID 122536487
(3R,4R)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
CID 122536488
(3R,4R)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 132267396
(3S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 132267397
(3R,4R)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 160114144
1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 83058376
(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 83059847
(3S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 83059848
1,1,1-Trifluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
CID 105649121
1,1-Difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
CID 105649223
3-fluoro-N-(3-hydroxybutyl)-N-methylpropane-1-sulfonamide
CID 112413520
1-(3-Fluoropropylsulfonyl)-4,4-dimethylpyrrolidin-3-ol
CID 128160624

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol (CID 161168448) is (3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol is CC(C)CS(=O)(=O)N1C[C@H](O)[C@@H](F)C1.
What is the InChIKey of (3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol?
The InChIKey is UQWCHYSBTIAGHC-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16FNO3S/c1-6(2)5-14(12,13)10-3-7(9)8(11)4-10/h6-8,11H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol?
(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol has a molecular weight of 225.28 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 161168448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).