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

C13H22N2O3S2 — CID 106065228

IUPAC5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NC2CCCOC2)s1
InChIInChI=1S/C13H22N2O3S2/c1-2-14-8-7-12-5-6-13(19-12)20(16,17)15-11-4-3-9-18-10-11/h5-6,11,14-15H,2-4,7-10H2,1H3
InChIKeyVEFIZNCIBRYEOI-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.36
Rot. Bonds7

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

5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide (PubChem CID 106065228) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
PubChem CID106065228
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NC2CCCOC2)s1
InChIInChI=1S/C13H22N2O3S2/c1-2-14-8-7-12-5-6-13(19-12)20(16,17)15-11-4-3-9-18-10-11/h5-6,11,14-15H,2-4,7-10H2,1H3
InChIKeyVEFIZNCIBRYEOI-UHFFFAOYSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.36
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-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 114135005
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-(2-methyloxolan-3-yl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106076260
5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106089895
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 106076226
5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091338
5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091389
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025620

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide (CID 106065228) is 5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide is CCNCCc1ccc(S(=O)(=O)NC2CCCOC2)s1.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide?
The InChIKey is VEFIZNCIBRYEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-2-14-8-7-12-5-6-13(19-12)20(16,17)15-11-4-3-9-18-10-11/h5-6,11,14-15H,2-4,7-10H2,1H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide?
5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.36, 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-(oxan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106065228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).