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

C13H12N2O2S2 — CID 60813110

IUPACN-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
SMILESNCC#Cc1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C13H12N2O2S2/c14-8-2-5-11-4-1-6-12(10-11)15-19(16,17)13-7-3-9-18-13/h1,3-4,6-7,9-10,15H,8,14H2
InChIKeyMDMUXKJMMBSPSK-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.86
Rot. Bonds3

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

N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide (PubChem CID 60813110) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
PubChem CID60813110
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC NameN-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
SMILESNCC#Cc1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C13H12N2O2S2/c14-8-2-5-11-4-1-6-12(10-11)15-19(16,17)13-7-3-9-18-13/h1,3-4,6-7,9-10,15H,8,14H2
InChIKeyMDMUXKJMMBSPSK-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-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 60814116
N-[3-(3-aminoprop-1-ynyl)phenyl]methanesulfonamide;hydrochloride
CID 42961325
3-(3-aminoprop-1-ynyl)-N-(methylsulfamoyl)aniline
CID 114812051
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylsulfonylethanesulfonamide
CID 63243098
N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361542
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-methoxypropane-1-sulfonamide
CID 63288341
N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 768865
3-(3-aminoprop-1-ynyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 60844800
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 60814956
N-(3-piperazin-1-ylphenyl)thiophene-2-sulfonamide
CID 102430110
N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119583489
4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
CID 24650343

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide (CID 60813110) is N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide is NCC#Cc1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is MDMUXKJMMBSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c14-8-2-5-11-4-1-6-12(10-11)15-19(16,17)13-7-3-9-18-13/h1,3-4,6-7,9-10,15H,8,14H2.
What are the key properties of N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
N-[3-(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-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 60813110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).