2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide

C15H22N2O3S — CID 63692385

IUPAC2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccccc1C#CCN
InChIInChI=1S/C15H22N2O3S/c1-3-17(12-13-20-4-2)21(18,19)15-10-6-5-8-14(15)9-7-11-16/h5-6,8,10H,3-4,11-13,16H2,1-2H3
InChIKeyBQQMDDYAQVHTOC-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.04
Rot. Bonds7

About 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide

2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide (PubChem CID 63692385) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
PubChem CID63692385
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccccc1C#CCN
InChIInChI=1S/C15H22N2O3S/c1-3-17(12-13-20-4-2)21(18,19)15-10-6-5-8-14(15)9-7-11-16/h5-6,8,10H,3-4,11-13,16H2,1-2H3
InChIKeyBQQMDDYAQVHTOC-UHFFFAOYSA-N
XLogP1.04
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880356
N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61447355
2-(3-aminoprop-1-ynyl)-N-ethyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61447521
N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)benzenesulfonamide
CID 63690094
2-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455868
5-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
CID 63692569
2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61384582
2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 60846237
2-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylbenzenesulfonamide
CID 63228327
2-(3-aminoprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891603
2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
CID 55226922
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63695936

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide (CID 63692385) is 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide is CCOCCN(CC)S(=O)(=O)c1ccccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
The InChIKey is BQQMDDYAQVHTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-17(12-13-20-4-2)21(18,19)15-10-6-5-8-14(15)9-7-11-16/h5-6,8,10H,3-4,11-13,16H2,1-2H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 63692385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).