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

C12H15N3O2S2 — CID 106031006

IUPAC4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C12H15N3O2S2/c1-13-7-11-6-12(18-9-11)19(16,17)15-8-10-2-4-14-5-3-10/h2-6,9,13,15H,7-8H2,1H3
InChIKeyLDESGMUPMFNLLP-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.34
Rot. Bonds6

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

4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106031006) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID106031006
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C12H15N3O2S2/c1-13-7-11-6-12(18-9-11)19(16,17)15-8-10-2-4-14-5-3-10/h2-6,9,13,15H,7-8H2,1H3
InChIKeyLDESGMUPMFNLLP-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

N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076061
4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013512
4-(methylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016373
4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410707
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 79357755
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094336

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide (CID 106031006) is 4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NCc2ccncc2)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is LDESGMUPMFNLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-13-7-11-6-12(18-9-11)19(16,17)15-8-10-2-4-14-5-3-10/h2-6,9,13,15H,7-8H2,1H3.
What are the key properties of 4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-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 4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106031006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).