2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide

C12H15N3O2S2 — CID 106030940

IUPAC2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H15N3O2S2/c1-13-9-11-12(4-7-18-11)19(16,17)15-8-10-2-5-14-6-3-10/h2-7,13,15H,8-9H2,1H3
InChIKeyZSHPMSDXZXDYSO-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.34
Rot. Bonds6

About 2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide

2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106030940) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
PubChem CID106030940
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H15N3O2S2/c1-13-9-11-12(4-7-18-11)19(16,17)15-8-10-2-5-14-6-3-10/h2-7,13,15H,8-9H2,1H3
InChIKeyZSHPMSDXZXDYSO-UHFFFAOYSA-N
XLogP1.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092583
3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 17221138
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088650
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055204
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106095186
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106378067
2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 114142231
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide (CID 106030940) is 2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NCc1ccncc1.
What is the InChIKey of 2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is ZSHPMSDXZXDYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-13-9-11-12(4-7-18-11)19(16,17)15-8-10-2-5-14-6-3-10/h2-7,13,15H,8-9H2,1H3.
What are the key properties of 2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106030940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).