5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide

C15H21N3O2S2 — CID 113030482

IUPAC5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc(C)s2)nc1
InChIInChI=1S/C15H21N3O2S2/c1-3-4-5-10-16-13-7-8-14(17-11-13)18-22(19,20)15-9-6-12(2)21-15/h6-9,11,16H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyKXXCZMPFLSVYNE-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.85
Rot. Bonds8

About 5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide

5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113030482) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113030482
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc(C)s2)nc1
InChIInChI=1S/C15H21N3O2S2/c1-3-4-5-10-16-13-7-8-14(17-11-13)18-22(19,20)15-9-6-12(2)21-15/h6-9,11,16H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyKXXCZMPFLSVYNE-UHFFFAOYSA-N
XLogP3.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
CID 112985267
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113027958
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113032078
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113035942
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023545
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide (CID 113030482) is 5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide is CCCCCNc1ccc(NS(=O)(=O)c2ccc(C)s2)nc1.
What is the InChIKey of 5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is KXXCZMPFLSVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-3-4-5-10-16-13-7-8-14(17-11-13)18-22(19,20)15-9-6-12(2)21-15/h6-9,11,16H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide?
5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 339.49 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113030482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).