3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide

C12H16N2O3S — CID 60844266

IUPAC3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C12H16N2O3S/c1-17-9-8-14-18(15,16)12-6-2-4-11(10-12)5-3-7-13/h2,4,6,10,14H,7-9,13H2,1H3
InChIKeyUVOIJIWNCRVBKS-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.08
Rot. Bonds5

About 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide

3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 60844266) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID60844266
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C12H16N2O3S/c1-17-9-8-14-18(15,16)12-6-2-4-11(10-12)5-3-7-13/h2,4,6,10,14H,7-9,13H2,1H3
InChIKeyUVOIJIWNCRVBKS-UHFFFAOYSA-N
XLogP-0.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide 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

3-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 60843908
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
CID 18071474
3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61466672
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
4-(3-aminoprop-1-ynyl)-2-ethyl-N-(2-methoxyethylsulfamoyl)aniline
CID 114816553
3-(3-aminoprop-1-ynyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 60844800
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-methoxypropane-1-sulfonamide
CID 63288341
3-cyano-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121937
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
CID 116529485
3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64525944
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 60844266) is 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1cccc(C#CCN)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is UVOIJIWNCRVBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-17-9-8-14-18(15,16)12-6-2-4-11(10-12)5-3-7-13/h2,4,6,10,14H,7-9,13H2,1H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide?
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 60844266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).