6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide

C12H19N3O4S — CID 103341245

IUPAC6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2CO)nc1
InChIInChI=1S/C12H19N3O4S/c1-14(2)20(17,18)11-3-4-12(13-7-11)15-5-6-19-9-10(15)8-16/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyXMXILZJCKALTTR-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.47
Rot. Bonds4

About 6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide

6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341245) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341245
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2CO)nc1
InChIInChI=1S/C12H19N3O4S/c1-14(2)20(17,18)11-3-4-12(13-7-11)15-5-6-19-9-10(15)8-16/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyXMXILZJCKALTTR-UHFFFAOYSA-N
XLogP-0.47
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341466
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid
CID 103340906
6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile
CID 103472986
4-(5-bromo-2-pyridinyl)-3-ethylmorpholine
CID 61375479
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642
6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 97221231
(E)-3-[6-(3-ethylmorpholin-4-yl)-3-pyridinyl]prop-2-enoic acid
CID 80633925
6-[4-(2-aminoethyl)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341143
1-[6-(3-ethylmorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine
CID 62282781
6-(3-chloro-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341456
6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341441

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide (CID 103341245) is 6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCOCC2CO)nc1.
What is the InChIKey of 6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is XMXILZJCKALTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-14(2)20(17,18)11-3-4-12(13-7-11)15-5-6-19-9-10(15)8-16/h3-4,7,10,16H,5-6,8-9H2,1-2H3.
What are the key properties of 6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide?
6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).