5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide

C12H18N4O2S2 — CID 106029787

IUPAC5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C12H18N4O2S2/c1-10-12(7-11(8-13)19-10)20(17,18)15-3-2-5-16-6-4-14-9-16/h4,6-7,9,15H,2-3,5,8,13H2,1H3
InChIKeyIFLHIJCVMCUQEZ-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.08
Rot. Bonds7

About 5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106029787) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide
PubChem CID106029787
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C12H18N4O2S2/c1-10-12(7-11(8-13)19-10)20(17,18)15-3-2-5-16-6-4-14-9-16/h4,6-7,9,15H,2-3,5,8,13H2,1H3
InChIKeyIFLHIJCVMCUQEZ-UHFFFAOYSA-N
XLogP1.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
CID 106077042
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328610
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
N-(3-imidazol-1-ylpropyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106029752
5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 54951556
2-(aminomethyl)-5-fluoro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 106029754
5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073578
2,5-dibromo-N-(3-imidazol-1-ylpropyl)-4-methylbenzenesulfonamide
CID 81427897
4-(aminomethyl)-N-(4-imidazol-1-ylbutyl)thiophene-2-sulfonamide
CID 106054450
2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456215

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide (CID 106029787) is 5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)NCCCn1ccnc1.
What is the InChIKey of 5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is IFLHIJCVMCUQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-10-12(7-11(8-13)19-10)20(17,18)15-3-2-5-16-6-4-14-9-16/h4,6-7,9,15H,2-3,5,8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106029787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).