5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide

C13H24N2O3S2 — CID 106080577

IUPAC5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NC(C)(C)COC)s1
InChIInChI=1S/C13H24N2O3S2/c1-5-14-9-8-11-6-7-12(19-11)20(16,17)15-13(2,3)10-18-4/h6-7,14-15H,5,8-10H2,1-4H3
InChIKeyUZDVVIMNXZPBSP-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.60
Rot. Bonds9

About 5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide

5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 106080577) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID106080577
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC Name5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NC(C)(C)COC)s1
InChIInChI=1S/C13H24N2O3S2/c1-5-14-9-8-11-6-7-12(19-11)20(16,17)15-13(2,3)10-18-4/h6-7,14-15H,5,8-10H2,1-4H3
InChIKeyUZDVVIMNXZPBSP-UHFFFAOYSA-N
XLogP1.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.60
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-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598
5-ethyl-N-(2,4,4-trimethylpentan-2-yl)thiophene-2-sulfonamide
CID 60530946
N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106080923
N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106080757
N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060431
N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 103466053
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106063105
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide (CID 106080577) is 5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide is CCNCCc1ccc(S(=O)(=O)NC(C)(C)COC)s1.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is UZDVVIMNXZPBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-5-14-9-8-11-6-7-12(19-11)20(16,17)15-13(2,3)10-18-4/h6-7,14-15H,5,8-10H2,1-4H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide?
5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.60, 9 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-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106080577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).