N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide

C13H25N3O2S2 — CID 106017177

IUPACN-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NCC(C)N(C)C
InChIInChI=1S/C13H25N3O2S2/c1-5-7-14-10-12-13(6-8-19-12)20(17,18)15-9-11(2)16(3)4/h6,8,11,14-15H,5,7,9-10H2,1-4H3
InChIKeySHTNTWZWGKGUSQ-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.48
Rot. Bonds9

About N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide

N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106017177) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106017177
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC NameN-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NCC(C)N(C)C
InChIInChI=1S/C13H25N3O2S2/c1-5-7-14-10-12-13(6-8-19-12)20(17,18)15-9-11(2)16(3)4/h6,8,11,14-15H,5,7,9-10H2,1-4H3
InChIKeySHTNTWZWGKGUSQ-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-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088593
2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702
N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084591
N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106076401

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 106017177) is N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)NCC(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is SHTNTWZWGKGUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-5-7-14-10-12-13(6-8-19-12)20(17,18)15-9-11(2)16(3)4/h6,8,11,14-15H,5,7,9-10H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide?
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-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]-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106017177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).