5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide

C14H19N3O2S2 — CID 106063105

IUPAC5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)Nc2cnccc2C)s1
InChIInChI=1S/C14H19N3O2S2/c1-3-15-9-7-12-4-5-14(20-12)21(18,19)17-13-10-16-8-6-11(13)2/h4-6,8,10,15,17H,3,7,9H2,1-2H3
InChIKeyYRQGCIVQWKADDA-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.40
Rot. Bonds7

About 5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide

5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide (PubChem CID 106063105) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide
PubChem CID106063105
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)Nc2cnccc2C)s1
InChIInChI=1S/C14H19N3O2S2/c1-3-15-9-7-12-4-5-14(20-12)21(18,19)17-13-10-16-8-6-11(13)2/h4-6,8,10,15,17H,3,7,9H2,1-2H3
InChIKeyYRQGCIVQWKADDA-UHFFFAOYSA-N
XLogP2.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.40
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-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106062129
N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060431
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814
5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide
CID 106080577
N-(4-methyl-3-pyridinyl)naphthalene-1-sulfonamide
CID 115685376
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119
5-[2-(ethylamino)ethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016215
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide (CID 106063105) is 5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide is CCNCCc1ccc(S(=O)(=O)Nc2cnccc2C)s1.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is YRQGCIVQWKADDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-3-15-9-7-12-4-5-14(20-12)21(18,19)17-13-10-16-8-6-11(13)2/h4-6,8,10,15,17H,3,7,9H2,1-2H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide?
5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106063105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).