5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide

C8H12N2O3S — CID 54857460

IUPAC5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CO)cn1
InChIInChI=1S/C8H12N2O3S/c1-10(2)14(12,13)8-4-3-7(6-11)5-9-8/h3-5,11H,6H2,1-2H3
InChIKeyKMPBTNNEUGWGEU-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.18
Rot. Bonds3

About 5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide

5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide (PubChem CID 54857460) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide
PubChem CID54857460
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CO)cn1
InChIInChI=1S/C8H12N2O3S/c1-10(2)14(12,13)8-4-3-7(6-11)5-9-8/h3-5,11H,6H2,1-2H3
InChIKeyKMPBTNNEUGWGEU-UHFFFAOYSA-N
XLogP-0.18
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,5-trimethylpyridine-2-sulfonamide
CID 71646856
[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol
CID 104969057
[6-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol
CID 79849577
N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106014046
[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methanol
CID 61252794
N-(2-ethoxyethyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 114132074
N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106001152
5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 79846057
5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
CID 106000682
5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106283934
[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol
CID 114597620

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide (CID 54857460) is 5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CO)cn1.
What is the InChIKey of 5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide?
The InChIKey is KMPBTNNEUGWGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-10(2)14(12,13)8-4-3-7(6-11)5-9-8/h3-5,11H,6H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide?
5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide has a molecular weight of 216.26 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide is sourced from PubChem (CID 54857460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).