5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide

C12H16N2O2S3 — CID 106056610

IUPAC5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccsc2)sc1CN
InChIInChI=1S/C12H16N2O2S3/c1-8-5-12(18-11(8)6-13)19(15,16)14-9(2)10-3-4-17-7-10/h3-5,7,9,14H,6,13H2,1-2H3
InChIKeyWTKKUSAIDIRPLB-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.62
Rot. Bonds5

About 5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide

5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide (PubChem CID 106056610) has the molecular formula C12H16N2O2S3 and a molecular weight of 316.47 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
PubChem CID106056610
Molecular FormulaC12H16N2O2S3
Molecular Weight316.47 g/mol
Exact Mass316.04
IUPAC Name5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccsc2)sc1CN
InChIInChI=1S/C12H16N2O2S3/c1-8-5-12(18-11(8)6-13)19(15,16)14-9(2)10-3-4-17-7-10/h3-5,7,9,14H,6,13H2,1-2H3
InChIKeyWTKKUSAIDIRPLB-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 114138862
5-(aminomethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 114141055
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 62844793
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 106056537
3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056522
3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 106056626
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 106050950
5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056485
2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide
CID 106056501

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide (CID 106056610) is 5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(C)c2ccsc2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide?
The InChIKey is WTKKUSAIDIRPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S3/c1-8-5-12(18-11(8)6-13)19(15,16)14-9(2)10-3-4-17-7-10/h3-5,7,9,14H,6,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106056610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).