3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide

C6H14N2O3S — CID 103357564

IUPAC3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C6H14N2O3S/c1-6(9)3-4-8(5-6)12(10,11)7-2/h7,9H,3-5H2,1-2H3
InChIKeyPPICTKVDVHTBCA-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.09
Rot. Bonds2

About 3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide

3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide (PubChem CID 103357564) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide
PubChem CID103357564
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C6H14N2O3S/c1-6(9)3-4-8(5-6)12(10,11)7-2/h7,9H,3-5H2,1-2H3
InChIKeyPPICTKVDVHTBCA-UHFFFAOYSA-N
XLogP-1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 103357539
3-Hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide
CID 130161631
3-Hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride
CID 135564465
3-Hydroxy-3-methylpyrrolidine-1-sulfonic acid
CID 21963969
3-hydroxy-N-methylpyrrolidine-1-sulfonamide
CID 59999326
3-Hydroxy-3-methylpyrrolidine-1-sulfinate
CID 90390818
3-Hydroxy-3-methylpyrrolidine-1-sulfonamide
CID 103727867
(3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide
CID 104978076
Carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate
CID 156540605
(3-Hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid
CID 170434856
N-(2-hydroxy-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 65113130
N-(2-ethyl-2-hydroxybutyl)pyrrolidine-1-sulfonamide
CID 65113320

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide (CID 103357564) is 3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is PPICTKVDVHTBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-6(9)3-4-8(5-6)12(10,11)7-2/h7,9H,3-5H2,1-2H3.
What are the key properties of 3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide?
3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 194.26 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 103357564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).