3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride

C5H10FNO3S — CID 135564465

IUPAC3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride
SMILESCC1(O)CCN(S(=O)(=O)F)C1
InChIInChI=1S/C5H10FNO3S/c1-5(8)2-3-7(4-5)11(6,9)10/h8H,2-4H2,1H3
InChIKeyFRUSVQMXNIKOBT-UHFFFAOYSA-N
MW183.20 g/mol
LogP-0.34
Rot. Bonds1

About 3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride

3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride (PubChem CID 135564465) has the molecular formula C5H10FNO3S and a molecular weight of 183.20 g/mol. Its IUPAC name is 3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride
PubChem CID135564465
Molecular FormulaC5H10FNO3S
Molecular Weight183.20 g/mol
Exact Mass183.04
IUPAC Name3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride
SMILESCC1(O)CCN(S(=O)(=O)F)C1
InChIInChI=1S/C5H10FNO3S/c1-5(8)2-3-7(4-5)11(6,9)10/h8H,2-4H2,1H3
InChIKeyFRUSVQMXNIKOBT-UHFFFAOYSA-N
XLogP-0.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 103357540
3-Hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide
CID 130161631
3-Hydroxy-3-methylpyrrolidine-1-sulfonic acid
CID 21963969
3-Hydroxy-3-methylpyrrolidine-1-sulfinate
CID 90390818
3-Hydroxy-3-methylpyrrolidine-1-sulfonamide
CID 103727867
3-Methyl-1-methylsulfonylpyrrolidin-3-ol
CID 103871484
3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
CID 73439645
3-Hydroxy-3-methylpyrrolidine-1-sulfinic acid
CID 90390819
3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide
CID 103357564
3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide
CID 103871366
N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide
CID 103871491
N,N-diethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide
CID 103871560

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride?
The IUPAC name of 3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride (CID 135564465) is 3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride.
What is the SMILES notation for 3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride?
The canonical SMILES for 3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride is CC1(O)CCN(S(=O)(=O)F)C1.
What is the InChIKey of 3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride?
The InChIKey is FRUSVQMXNIKOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO3S/c1-5(8)2-3-7(4-5)11(6,9)10/h8H,2-4H2,1H3.
What are the key properties of 3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride?
3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride has a molecular weight of 183.20 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride is sourced from PubChem (CID 135564465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).