5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide

C11H21N3O2S2 — CID 114132396

IUPAC5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN(C)C)sc1CN
InChIInChI=1S/C11H21N3O2S2/c1-9-7-11(17-10(9)8-12)18(15,16)13-5-4-6-14(2)3/h7,13H,4-6,8,12H2,1-3H3
InChIKeyOESJEJMSRRXSOM-UHFFFAOYSA-N
MW291.44 g/mol
LogP0.75
Rot. Bonds7

About 5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide (PubChem CID 114132396) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
PubChem CID114132396
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC Name5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN(C)C)sc1CN
InChIInChI=1S/C11H21N3O2S2/c1-9-7-11(17-10(9)8-12)18(15,16)13-5-4-6-14(2)3/h7,13H,4-6,8,12H2,1-3H3
InChIKeyOESJEJMSRRXSOM-UHFFFAOYSA-N
XLogP0.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 50.75
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

5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide
CID 114135259
5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054086
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-sulfonamide
CID 106001823
5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide
CID 106051850
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619
5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092930
5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
CID 106067326
5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094400
5-(aminomethyl)-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410762
5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 114138862
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
5-(aminomethyl)-N-(2-cyclopropylpropyl)-4-methylthiophene-2-sulfonamide
CID 113476482

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide (CID 114132396) is 5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCCN(C)C)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is OESJEJMSRRXSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-9-7-11(17-10(9)8-12)18(15,16)13-5-4-6-14(2)3/h7,13H,4-6,8,12H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 114132396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).