N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide

C13H12N2O2S2 — CID 60814116

IUPACN-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
SMILESNCC#Cc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H12N2O2S2/c14-9-1-3-11-5-7-12(8-6-11)15-19(16,17)13-4-2-10-18-13/h2,4-8,10,15H,9,14H2
InChIKeyAHIMFSAOJZSCAM-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.86
Rot. Bonds3

About N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide

N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide (PubChem CID 60814116) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
PubChem CID60814116
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC NameN-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
SMILESNCC#Cc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H12N2O2S2/c14-9-1-3-11-5-7-12(8-6-11)15-19(16,17)13-4-2-10-18-13/h2,4-8,10,15H,9,14H2
InChIKeyAHIMFSAOJZSCAM-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 60813110
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-fluorobenzenesulfonamide
CID 60814453
N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide
CID 6493654
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide
CID 126346342
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-[(4-cyanophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46591163
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112981383
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[4-(3-aminoprop-1-ynyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60813276

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide (CID 60814116) is N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide is NCC#Cc1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is AHIMFSAOJZSCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c14-9-1-3-11-5-7-12(8-6-11)15-19(16,17)13-4-2-10-18-13/h2,4-8,10,15H,9,14H2.
What are the key properties of N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 292.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 60814116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).