N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide

C13H25N3O2S2 — CID 106017196

IUPACN-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NCC(C)N(C)C)s1
InChIInChI=1S/C13H25N3O2S2/c1-5-8-14-10-12-6-7-13(19-12)20(17,18)15-9-11(2)16(3)4/h6-7,11,14-15H,5,8-10H2,1-4H3
InChIKeyVBEWFGAJSBYJMZ-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.48
Rot. Bonds9

About N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide

N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106017196) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106017196
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC NameN-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NCC(C)N(C)C)s1
InChIInChI=1S/C13H25N3O2S2/c1-5-8-14-10-12-6-7-13(19-12)20(17,18)15-9-11(2)16(3)4/h6-7,11,14-15H,5,8-10H2,1-4H3
InChIKeyVBEWFGAJSBYJMZ-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
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-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106063275
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061369
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106030764
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 106017285
N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106092862
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106085013
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106094791

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 106017196) is N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)NCC(C)N(C)C)s1.
What is the InChIKey of N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is VBEWFGAJSBYJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-5-8-14-10-12-6-7-13(19-12)20(17,18)15-9-11(2)16(3)4/h6-7,11,14-15H,5,8-10H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 319.50 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106017196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).