4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide

C9H12N2O2S2 — CID 106223579

IUPAC4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H12N2O2S2/c1-3-8(4-2)11-15(12,13)9-5-7(10)6-14-9/h1,5-6,8,11H,4,10H2,2H3
InChIKeyZUQHUHPFTKQMRW-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.02
Rot. Bonds4

About 4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide

4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide (PubChem CID 106223579) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide
PubChem CID106223579
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Name4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H12N2O2S2/c1-3-8(4-2)11-15(12,13)9-5-7(10)6-14-9/h1,5-6,8,11H,4,10H2,2H3
InChIKeyZUQHUHPFTKQMRW-UHFFFAOYSA-N
XLogP1.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.02
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

5-amino-3-chloro-2-fluoro-N-pent-1-yn-3-ylbenzenesulfonamide
CID 114160396
3-amino-2,5,6-trimethyl-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106223613
5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106231931
4-amino-N-[2-(dimethylamino)propyl]thiophene-2-sulfonamide
CID 61300006
3-amino-4-chloro-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106223680
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide
CID 114132852
4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 61299029
3-amino-4-methoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 114160385
4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide
CID 61299780
2-N-pent-1-yn-3-ylbenzene-1,2-disulfonamide
CID 114160694
4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 61299031
3,4-difluoro-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106898664

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide (CID 106223579) is 4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide is C#CC(CC)NS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide?
The InChIKey is ZUQHUHPFTKQMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-3-8(4-2)11-15(12,13)9-5-7(10)6-14-9/h1,5-6,8,11H,4,10H2,2H3.
What are the key properties of 4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide?
4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide has a molecular weight of 244.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106223579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).