4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide

C9H13N5O2S2 — CID 113412369

IUPAC4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCCCn2ccnn2)c1
InChIInChI=1S/C9H13N5O2S2/c10-8-6-9(17-7-8)18(15,16)12-2-1-4-14-5-3-11-13-14/h3,5-7,12H,1-2,4,10H2
InChIKeyWRRQPZHMXWAPSF-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.29
Rot. Bonds6

About 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide

4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 113412369) has the molecular formula C9H13N5O2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID113412369
Molecular FormulaC9H13N5O2S2
Molecular Weight287.37 g/mol
Exact Mass287.05
IUPAC Name4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCCCn2ccnn2)c1
InChIInChI=1S/C9H13N5O2S2/c10-8-6-9(17-7-8)18(15,16)12-2-1-4-14-5-3-11-13-14/h3,5-7,12H,1-2,4,10H2
InChIKeyWRRQPZHMXWAPSF-UHFFFAOYSA-N
XLogP0.29
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide 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

1-[(3S)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole
CID 99877441
3,3,3-trifluoro-N-{[1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl]methyl}propane-1-sulfonamide
CID 122276098
1-(1-(thiophen-2-ylsulfonyl)pyrrolidin-3-yl)-1H-1,2,3-triazole
CID 76150884
4-amino-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 54951581
4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 54951837
4-amino-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 61299387
4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 61299582
4-amino-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 62902817
1-(thiophene-2-sulfonyl)-4-(1H-1,2,3-triazol-1-yl)piperidine
CID 76151014
1-(1-(thiophen-2-ylsulfonyl)azetidin-3-yl)-1H-1,2,3-triazole
CID 91625242
1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole
CID 99877442
3-bromo-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 104099604

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide (CID 113412369) is 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)NCCCn2ccnn2)c1.
What is the InChIKey of 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is WRRQPZHMXWAPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S2/c10-8-6-9(17-7-8)18(15,16)12-2-1-4-14-5-3-11-13-14/h3,5-7,12H,1-2,4,10H2.
What are the key properties of 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide?
4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113412369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).