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

C13H20N4O2S2 — CID 106085013

IUPACN-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC(C)c2ncc[nH]2)s1
InChIInChI=1S/C13H20N4O2S2/c1-3-6-14-9-11-4-5-12(20-11)21(18,19)17-10(2)13-15-7-8-16-13/h4-5,7-8,10,14,17H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyQSIPSSXIYZHUEH-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.01
Rot. Bonds8

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

N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106085013) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106085013
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC(C)c2ncc[nH]2)s1
InChIInChI=1S/C13H20N4O2S2/c1-3-6-14-9-11-4-5-12(20-11)21(18,19)17-10(2)13-15-7-8-16-13/h4-5,7-8,10,14,17H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyQSIPSSXIYZHUEH-UHFFFAOYSA-N
XLogP2.01
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.01
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-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106063275
5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106271860
N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine
CID 114810309
5-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106085088
N-[1-(1H-imidazol-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106085006
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106082756
5-[2-(methylamino)ethyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283970
N-[1-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085042
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106030764
N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084997

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 106085013) is N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)NC(C)c2ncc[nH]2)s1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is QSIPSSXIYZHUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-3-6-14-9-11-4-5-12(20-11)21(18,19)17-10(2)13-15-7-8-16-13/h4-5,7-8,10,14,17H,3,6,9H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106085013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).