3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide

C14H20N2O2S — CID 54926868

IUPAC3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C14H20N2O2S/c1-3-11-16(4-2)19(17,18)14-9-5-7-13(12-14)8-6-10-15/h5,7,9,12H,3-4,10-11,15H2,1-2H3
InChIKeyLMGXWNFSUKVGFP-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.42
Rot. Bonds5

About 3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide

3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide (PubChem CID 54926868) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide
PubChem CID54926868
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C14H20N2O2S/c1-3-11-16(4-2)19(17,18)14-9-5-7-13(12-14)8-6-10-15/h5,7,9,12H,3-4,10-11,15H2,1-2H3
InChIKeyLMGXWNFSUKVGFP-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.42
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

N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
CID 60844426
3-(3-aminoprop-1-ynyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447399
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60981199
4-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-propylbenzenesulfonamide
CID 116529413
3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide
CID 61444206
3-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 63701055
3-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062012
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide
CID 175159039
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102868308
2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 60846237

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide (CID 54926868) is 3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide is CCCN(CC)S(=O)(=O)c1cccc(C#CCN)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide?
The InChIKey is LMGXWNFSUKVGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-11-16(4-2)19(17,18)14-9-5-7-13(12-14)8-6-10-15/h5,7,9,12H,3-4,10-11,15H2,1-2H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide?
3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 54926868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).