[1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium

C17H25N2O3S+ — CID 24989490

IUPAC[1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium
SMILESC#CC[N+](C)(CC=C)C(COC)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H25N2O3S/c1-6-11-19(3,12-7-2)17(14-22-4)15-9-8-10-16(13-15)18-23(5,20)21/h1,7-10,13,17-18H,2,11-12,14H2,3-5H3/q+1
InChIKeyUYCZZKQICCBTPP-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.01
Rot. Bonds9

About [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium

[1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium (PubChem CID 24989490) has the molecular formula C17H25N2O3S+ and a molecular weight of 337.47 g/mol. Its IUPAC name is [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium.

Molecular Properties

Compound Name[1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium
PubChem CID24989490
Molecular FormulaC17H25N2O3S+
Molecular Weight337.47 g/mol
Exact Mass337.16
IUPAC Name[1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium
SMILESC#CC[N+](C)(CC=C)C(COC)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H25N2O3S/c1-6-11-19(3,12-7-2)17(14-22-4)15-9-8-10-16(13-15)18-23(5,20)21/h1,7-10,13,17-18H,2,11-12,14H2,3-5H3/q+1
InChIKeyUYCZZKQICCBTPP-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aniline, m-(2-(2-(diethylamino)ethoxy)ethyl)-
CID 33201
Diethyl-heptyl-[2-hydroxy-3-[3-(methanesulfonamido)phenyl]propyl]azanium bromide
CID 70412210
N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
CID 91802325
N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide
CID 134478830
N-[3-(3-aminophenyl)oxetan-3-yl]-N,2-dimethylpropane-2-sulfinamide
CID 166844917
N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide
CID 174625529
N-[4-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide
CID 175266563
N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide
CID 24989128
[1-[3-(Methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium chloride
CID 24989489
[1-[3-(Methanesulfonamido)phenyl]-2-phenylmethoxyethyl]-dimethyl-prop-2-ynylazanium chloride
CID 24989491
[1-[3-(Methanesulfonamido)phenyl]-2-phenylmethoxyethyl]-dimethyl-prop-2-ynylazanium
CID 24989492
But-2-ynyl-[1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enylazanium bromide
CID 24990263

Frequently Asked Questions

What is the IUPAC name of [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium?
The IUPAC name of [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium (CID 24989490) is [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium.
What is the SMILES notation for [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium?
The canonical SMILES for [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium is C#CC[N+](C)(CC=C)C(COC)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium?
The InChIKey is UYCZZKQICCBTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N2O3S/c1-6-11-19(3,12-7-2)17(14-22-4)15-9-8-10-16(13-15)18-23(5,20)21/h1,7-10,13,17-18H,2,11-12,14H2,3-5H3/q+1.
What are the key properties of [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium?
[1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium has a molecular weight of 337.47 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium is sourced from PubChem (CID 24989490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).