N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide

C13H20N4O2S2 — CID 106085215

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1csc(S(=O)(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C13H20N4O2S2/c1-2-4-14-9-11-8-13(20-10-11)21(18,19)17-5-3-12-15-6-7-16-12/h6-8,10,14,17H,2-5,9H2,1H3,(H,15,16)
InChIKeyKCDCTUUFHGVQEA-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.49
Rot. Bonds9

About N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide

N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106085215) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106085215
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1csc(S(=O)(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C13H20N4O2S2/c1-2-4-14-9-11-8-13(20-10-11)21(18,19)17-5-3-12-15-6-7-16-12/h6-8,10,14,17H,2-5,9H2,1H3,(H,15,16)
InChIKeyKCDCTUUFHGVQEA-UHFFFAOYSA-N
XLogP1.49
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
N-(3-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106066323
N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017589
N-(2-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106077840
4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095026
4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106051386
4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106064146
N-[1-(dimethylamino)propan-2-yl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106074405
N-(1-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106083905
2-bromo-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085272
N-(1-methoxybutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106068312
N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106091189

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide (CID 106085215) is N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1csc(S(=O)(=O)NCCc2ncc[nH]2)c1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is KCDCTUUFHGVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-2-4-14-9-11-8-13(20-10-11)21(18,19)17-5-3-12-15-6-7-16-12/h6-8,10,14,17H,2-5,9H2,1H3,(H,15,16).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide?
N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106085215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).