2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide

C15H22N2O2S — CID 60846237

IUPAC2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1ccc(C)cc1C#CCN
InChIInChI=1S/C15H22N2O2S/c1-4-11-17(5-2)20(18,19)15-9-8-13(3)12-14(15)7-6-10-16/h8-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyYZHYMAPSZAQALP-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.73
Rot. Bonds5

About 2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide

2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide (PubChem CID 60846237) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide
PubChem CID60846237
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1ccc(C)cc1C#CCN
InChIInChI=1S/C15H22N2O2S/c1-4-11-17(5-2)20(18,19)15-9-8-13(3)12-14(15)7-6-10-16/h8-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyYZHYMAPSZAQALP-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-4-methyl-N,N-dipropylbenzenesulfonamide
CID 60844109
2-(3-aminoprop-1-ynyl)-N-butan-2-yl-N-ethyl-4-methylbenzenesulfonamide
CID 60845550
4-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-propylbenzenesulfonamide
CID 116529413
2-(3-aminoprop-1-ynyl)-N-ethyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61447521
2-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 60844468
2-[ethyl-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]sulfonylamino]acetamide
CID 103103895
2-(3-aminoprop-1-ynyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880356
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755
2-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N,4-dimethylbenzenesulfonamide
CID 62856269
2-(3-aminoprop-1-ynyl)-4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 60845321
3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide
CID 54926868
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63692385

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide (CID 60846237) is 2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide is CCCN(CC)S(=O)(=O)c1ccc(C)cc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is YZHYMAPSZAQALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-11-17(5-2)20(18,19)15-9-8-13(3)12-14(15)7-6-10-16/h8-9,12H,4-5,10-11,16H2,1-3H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide?
2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 60846237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).