5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide

C14H26N2O2S2 — CID 106018814

IUPAC5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NC(CC)C(C)C)s1
InChIInChI=1S/C14H26N2O2S2/c1-5-13(11(3)4)16-20(17,18)14-8-7-12(19-14)9-10-15-6-2/h7-8,11,13,15-16H,5-6,9-10H2,1-4H3
InChIKeyQZETXJUKEUXBNA-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.61
Rot. Bonds9

About 5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide

5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide (PubChem CID 106018814) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
PubChem CID106018814
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC Name5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NC(CC)C(C)C)s1
InChIInChI=1S/C14H26N2O2S2/c1-5-13(11(3)4)16-20(17,18)14-8-7-12(19-14)9-10-15-6-2/h7-8,11,13,15-16H,5-6,9-10H2,1-4H3
InChIKeyQZETXJUKEUXBNA-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106051994
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide
CID 65192574
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
N-(3,3-dimethylbutan-2-yl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106079092
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598
5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide
CID 106080577
5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782
4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61470642
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060431

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide (CID 106018814) is 5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide is CCNCCc1ccc(S(=O)(=O)NC(CC)C(C)C)s1.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The InChIKey is QZETXJUKEUXBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-5-13(11(3)4)16-20(17,18)14-8-7-12(19-14)9-10-15-6-2/h7-8,11,13,15-16H,5-6,9-10H2,1-4H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide has a molecular weight of 318.51 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106018814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).