6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide

C13H21N3O3S — CID 103853630

IUPAC6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
SMILESC=CCCOCCNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3O3S/c1-4-5-9-19-10-8-14-13-7-6-12(11-15-13)20(17,18)16(2)3/h4,6-7,11H,1,5,8-10H2,2-3H3,(H,14,15)
InChIKeyQOJBROUYMMVVAC-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.34
Rot. Bonds9

About 6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide

6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103853630) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103853630
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
SMILESC=CCCOCCNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3O3S/c1-4-5-9-19-10-8-14-13-7-6-12(11-15-13)20(17,18)16(2)3/h4,6-7,11H,1,5,8-10H2,2-3H3,(H,14,15)
InChIKeyQOJBROUYMMVVAC-UHFFFAOYSA-N
XLogP1.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide (CID 103853630) is 6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide is C=CCCOCCNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is QOJBROUYMMVVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-5-9-19-10-8-14-13-7-6-12(11-15-13)20(17,18)16(2)3/h4,6-7,11H,1,5,8-10H2,2-3H3,(H,14,15).
What are the key properties of 6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide?
6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103853630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).