2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide

C7H16N2O3S — CID 102786527

IUPAC2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C7H16N2O3S/c1-6-3-4-9(7(6)5-10)13(11,12)8-2/h6-8,10H,3-5H2,1-2H3
InChIKeyJTAZXSFQJKQQEP-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.85
Rot. Bonds3

About 2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide

2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide (PubChem CID 102786527) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide
PubChem CID102786527
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C7H16N2O3S/c1-6-3-4-9(7(6)5-10)13(11,12)8-2/h6-8,10H,3-5H2,1-2H3
InChIKeyJTAZXSFQJKQQEP-UHFFFAOYSA-N
XLogP-0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 71911371
(2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide
CID 97239252
2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 113736414
(2S,4S)-4-fluoro-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 130679438
4-fluoro-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 131132283
(3-Methyl-1-sulfanylpyrrolidin-2-yl)methanol
CID 144226694
(2S)-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 28345648
(2R)-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 39086674
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide
CID 61247379
2-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
CID 61408971
[1-(4-Methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409018
N-butyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61409068

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide (CID 102786527) is 2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of 2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is JTAZXSFQJKQQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6-3-4-9(7(6)5-10)13(11,12)8-2/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide?
2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 102786527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).