5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide

C14H22N2O4S — CID 103340767

IUPAC5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1cc(CN)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-4-7-16(8-9-19-2)21(17,18)14-10-12(11-15)5-6-13(14)20-3/h4-6,10H,1,7-9,11,15H2,2-3H3
InChIKeySBJOAUXOSODJSO-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.98
Rot. Bonds9

About 5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide

5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 103340767) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID103340767
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1cc(CN)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-4-7-16(8-9-19-2)21(17,18)14-10-12(11-15)5-6-13(14)20-3/h4-6,10H,1,7-9,11,15H2,2-3H3
InChIKeySBJOAUXOSODJSO-UHFFFAOYSA-N
XLogP0.98
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.98
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

3-bromo-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340012
N-(2-hydroxyethyl)-2,5-dimethoxy-N-prop-2-enylbenzenesulfonamide
CID 115754601
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754627
2,5-dibromo-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340007
3-N-(2-methoxyethyl)-3-N-prop-2-enylbenzene-1,3-disulfonamide
CID 103339915
3-[2-methoxyethyl(prop-2-enyl)sulfamoyl]-2-methylbenzoic acid
CID 103338546
2,4-difluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340564
N-ethyl-2-methoxy-N-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)benzenesulfonamide
CID 171909595
5-(aminomethyl)-2-bromo-3-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 114363734
N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
CID 102704691
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340392

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide (CID 103340767) is 5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide is C=CCN(CCOC)S(=O)(=O)c1cc(CN)ccc1OC.
What is the InChIKey of 5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is SBJOAUXOSODJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-7-16(8-9-19-2)21(17,18)14-10-12(11-15)5-6-13(14)20-3/h4-6,10H,1,7-9,11,15H2,2-3H3.
What are the key properties of 5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide?
5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 103340767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).