4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide

C14H16N2O3S2 — CID 130358284

IUPAC4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C14H16N2O3S2/c1-16(2)14(17)10-3-6-12(7-4-10)21(18,19)13-8-5-11(9-15)20-13/h3-8H,9,15H2,1-2H3
InChIKeyREGQKGIIHCRZEE-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.74
Rot. Bonds4

About 4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide

4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide (PubChem CID 130358284) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide
PubChem CID130358284
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C14H16N2O3S2/c1-16(2)14(17)10-3-6-12(7-4-10)21(18,19)13-8-5-11(9-15)20-13/h3-8H,9,15H2,1-2H3
InChIKeyREGQKGIIHCRZEE-UHFFFAOYSA-N
XLogP1.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 130358029
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957
[5-(benzenesulfonyl)thiophen-2-yl]methanamine
CID 130358016
[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
CID 158924198
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide
CID 130358396
5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
CID 71920351
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106266214
(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride
CID 71756062
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide
CID 114165998
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 106266241
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
CID 120710324

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide (CID 130358284) is 4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.
What is the InChIKey of 4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide?
The InChIKey is REGQKGIIHCRZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-16(2)14(17)10-3-6-12(7-4-10)21(18,19)13-8-5-11(9-15)20-13/h3-8H,9,15H2,1-2H3.
What are the key properties of 4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide?
4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide has a molecular weight of 324.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide is sourced from PubChem (CID 130358284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).