5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide

C12H20N2O2S2 — CID 43520868

IUPAC5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H20N2O2S2/c1-4-14(9-10(2)3)18(15,16)12-6-5-11(17-12)7-8-13/h5-6H,2,4,7-9,13H2,1,3H3
InChIKeyJXAALIOGXMLMCT-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.84
Rot. Bonds7

About 5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide (PubChem CID 43520868) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
PubChem CID43520868
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H20N2O2S2/c1-4-14(9-10(2)3)18(15,16)12-6-5-11(17-12)7-8-13/h5-6H,2,4,7-9,13H2,1,3H3
InChIKeyJXAALIOGXMLMCT-UHFFFAOYSA-N
XLogP1.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
5-(2-aminoethyl)-N,N-dibutylthiophene-2-sulfonamide
CID 43520957
5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 61447206
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106266214
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide
CID 43520862
4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 61300939
1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine
CID 111101475
5-(2-aminoethyl)-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 43520978
5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide
CID 113499673
5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81056979
2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine
CID 110936922

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide (CID 43520868) is 5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide is C=C(C)CN(CC)S(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
The InChIKey is JXAALIOGXMLMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-4-14(9-10(2)3)18(15,16)12-6-5-11(17-12)7-8-13/h5-6H,2,4,7-9,13H2,1,3H3.
What are the key properties of 5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide is sourced from PubChem (CID 43520868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).