2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide

C12H18N4O2S2 — CID 106066571

IUPAC2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H18N4O2S2/c1-2-13-8-11-12(4-6-19-11)20(17,18)16-5-3-10-7-14-9-15-10/h4,6-7,9,13,16H,2-3,5,8H2,1H3,(H,14,15)
InChIKeyVQQABRVUSNDMEF-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.10
Rot. Bonds8

About 2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106066571) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106066571
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H18N4O2S2/c1-2-13-8-11-12(4-6-19-11)20(17,18)16-5-3-10-7-14-9-15-10/h4,6-7,9,13,16H,2-3,5,8H2,1H3,(H,14,15)
InChIKeyVQQABRVUSNDMEF-UHFFFAOYSA-N
XLogP1.10
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231081
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106085775
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
CID 106066548
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
2,5-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231103
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 65232447
2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231462
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzamide
CID 65231463
2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064642
2-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106066538
5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231475

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide (CID 106066571) is 2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is VQQABRVUSNDMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-2-13-8-11-12(4-6-19-11)20(17,18)16-5-3-10-7-14-9-15-10/h4,6-7,9,13,16H,2-3,5,8H2,1H3,(H,14,15).
What are the key properties of 2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106066571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).