6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide

C12H21N3O4S — CID 103341242

IUPAC6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCOCCN(CCO)c1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H21N3O4S/c1-14(2)20(17,18)11-4-5-12(13-10-11)15(6-8-16)7-9-19-3/h4-5,10,16H,6-9H2,1-3H3
InChIKeyVLEBNVFRVZYMNE-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.22
Rot. Bonds8

About 6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide

6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341242) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341242
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCOCCN(CCO)c1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H21N3O4S/c1-14(2)20(17,18)11-4-5-12(13-10-11)15(6-8-16)7-9-19-3/h4-5,10,16H,6-9H2,1-3H3
InChIKeyVLEBNVFRVZYMNE-UHFFFAOYSA-N
XLogP-0.22
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide (CID 103341242) is 6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide is COCCN(CCO)c1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is VLEBNVFRVZYMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-14(2)20(17,18)11-4-5-12(13-10-11)15(6-8-16)7-9-19-3/h4-5,10,16H,6-9H2,1-3H3.
What are the key properties of 6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 303.38 g/mol, XLogP of -0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).