5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide

C12H16N4O2S2 — CID 106088598

IUPAC5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)Nc2cncnc2)s1
InChIInChI=1S/C12H16N4O2S2/c1-2-13-6-5-11-3-4-12(19-11)20(17,18)16-10-7-14-9-15-8-10/h3-4,7-9,13,16H,2,5-6H2,1H3
InChIKeyZCHBFBIJFZCGTH-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.49
Rot. Bonds7

About 5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide

5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide (PubChem CID 106088598) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
PubChem CID106088598
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)Nc2cncnc2)s1
InChIInChI=1S/C12H16N4O2S2/c1-2-13-6-5-11-3-4-12(19-11)20(17,18)16-10-7-14-9-15-8-10/h3-4,7-9,13,16H,2,5-6H2,1H3
InChIKeyZCHBFBIJFZCGTH-UHFFFAOYSA-N
XLogP1.49
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106063105
N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060431
N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106062129
N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 107287170
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814
5-(ethylaminomethyl)-N-(6-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106073184
5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide
CID 106080577
5-[2-(ethylamino)ethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016215
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
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-pyrimidin-5-ylthiophene-2-sulfonamide?
The IUPAC name of 5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide (CID 106088598) is 5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide is CCNCCc1ccc(S(=O)(=O)Nc2cncnc2)s1.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide?
The InChIKey is ZCHBFBIJFZCGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-2-13-6-5-11-3-4-12(19-11)20(17,18)16-10-7-14-9-15-8-10/h3-4,7-9,13,16H,2,5-6H2,1H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide?
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106088598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).