3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide

C7H16N2O3S — CID 103871585

IUPAC3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C7H16N2O3S/c1-7(10)4-5-9(6-7)13(11,12)8(2)3/h10H,4-6H2,1-3H3
InChIKeyYWPKVOVBFKBFGL-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.75
Rot. Bonds2

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

3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide (PubChem CID 103871585) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide
PubChem CID103871585
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C7H16N2O3S/c1-7(10)4-5-9(6-7)13(11,12)8(2)3/h10H,4-6H2,1-3H3
InChIKeyYWPKVOVBFKBFGL-UHFFFAOYSA-N
XLogP-0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide
CID 130161631
3-Hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride
CID 135564465
(3R)-3,4,4-trimethyl-1-(1-pyrrolidinylsulfonyl)-3-pyrrolidinol
CID 72892335
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
N-(2-hydroxy-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 65113130
3-Ethyl-1-pyrrolidin-1-ylsulfonylazetidin-3-ol
CID 65927926
3-Propan-2-yl-1-pyrrolidin-1-ylsulfonylazetidin-3-ol
CID 65935137
3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
CID 73439645
3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide
CID 73439666

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide (CID 103871585) is 3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide?
The InChIKey is YWPKVOVBFKBFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-7(10)4-5-9(6-7)13(11,12)8(2)3/h10H,4-6H2,1-3H3.
What are the key properties of 3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide?
3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 103871585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).