5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide

C10H14N4O2S2 — CID 54951556

IUPAC5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCn2ccnc2)s1
InChIInChI=1S/C10H14N4O2S2/c11-7-9-1-2-10(17-9)18(15,16)13-4-6-14-5-3-12-8-14/h1-3,5,8,13H,4,6-7,11H2
InChIKeyMATZZQGMBQXOAP-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.38
Rot. Bonds6

About 5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 54951556) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
PubChem CID54951556
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCn2ccnc2)s1
InChIInChI=1S/C10H14N4O2S2/c11-7-9-1-2-10(17-9)18(15,16)13-4-6-14-5-3-12-8-14/h1-3,5,8,13H,4,6-7,11H2
InChIKeyMATZZQGMBQXOAP-UHFFFAOYSA-N
XLogP0.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide
CID 106270612
5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide
CID 106029787
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 80689627
2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018063
3-(aminomethyl)-4-chloro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018159
3-(aminomethyl)-4-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018089
4-(aminomethyl)-N-(4-imidazol-1-ylbutyl)thiophene-2-sulfonamide
CID 106054450
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 61072946

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide (CID 54951556) is 5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)NCCn2ccnc2)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is MATZZQGMBQXOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c11-7-9-1-2-10(17-9)18(15,16)13-4-6-14-5-3-12-8-14/h1-3,5,8,13H,4,6-7,11H2.
What are the key properties of 5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 54951556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).