2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide

C11H19N3O3S2 — CID 106266214

IUPAC2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C11H19N3O3S2/c1-4-14(8-10(15)13(2)3)19(16,17)11-6-5-9(7-12)18-11/h5-6H,4,7-8,12H2,1-3H3
InChIKeyGGQMICDKHFFJEH-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.31
Rot. Bonds6

About 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide

2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 106266214) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide
PubChem CID106266214
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C11H19N3O3S2/c1-4-14(8-10(15)13(2)3)19(16,17)11-6-5-9(7-12)18-11/h5-6H,4,7-8,12H2,1-3H3
InChIKeyGGQMICDKHFFJEH-UHFFFAOYSA-N
XLogP0.31
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61449447
5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 43520868
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106919187
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide
CID 114165998
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
2-[[3-(aminomethyl)-4-fluorophenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 63288245
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 106266241
2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 102991763
5-(2-aminoethyl)-N,N-dibutylthiophene-2-sulfonamide
CID 43520957
4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide
CID 130358284
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide
CID 55009501
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587581

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide (CID 106266214) is 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is GGQMICDKHFFJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-4-14(8-10(15)13(2)3)19(16,17)11-6-5-9(7-12)18-11/h5-6H,4,7-8,12H2,1-3H3.
What are the key properties of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide?
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 305.43 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 106266214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).