5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide

C14H23N3O3S — CID 103340666

IUPAC5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1ccc(CNCC)cn1
InChIInChI=1S/C14H23N3O3S/c1-4-8-17(9-10-20-3)21(18,19)14-7-6-13(12-16-14)11-15-5-2/h4,6-7,12,15H,1,5,8-11H2,2-3H3
InChIKeyUKQKKWPJOMACBP-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.01
Rot. Bonds10

About 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide

5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide (PubChem CID 103340666) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide
PubChem CID103340666
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1ccc(CNCC)cn1
InChIInChI=1S/C14H23N3O3S/c1-4-8-17(9-10-20-3)21(18,19)14-7-6-13(12-16-14)11-15-5-2/h4,6-7,12,15H,1,5,8-11H2,2-3H3
InChIKeyUKQKKWPJOMACBP-UHFFFAOYSA-N
XLogP1.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 103340623
5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 79846057
5-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62287077
5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
CID 106092686
5-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-sulfonamide
CID 106080557
N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 103340653
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62289550
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 103340163
4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid
CID 103338521
5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340767
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine
CID 82942694

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide (CID 103340666) is 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide is C=CCN(CCOC)S(=O)(=O)c1ccc(CNCC)cn1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide?
The InChIKey is UKQKKWPJOMACBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-8-17(9-10-20-3)21(18,19)14-7-6-13(12-16-14)11-15-5-2/h4,6-7,12,15H,1,5,8-11H2,2-3H3.
What are the key properties of 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide?
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide is sourced from PubChem (CID 103340666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).