2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide

C12H15N3O2S2 — CID 106071250

IUPAC2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(C)csc2CN)ccn1
InChIInChI=1S/C12H15N3O2S2/c1-8-7-18-11(6-13)12(8)19(16,17)15-10-3-4-14-9(2)5-10/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyACVCKBPUBLGNQC-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.02
Rot. Bonds4

About 2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide

2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide (PubChem CID 106071250) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
PubChem CID106071250
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(C)csc2CN)ccn1
InChIInChI=1S/C12H15N3O2S2/c1-8-7-18-11(6-13)12(8)19(16,17)15-10-3-4-14-9(2)5-10/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyACVCKBPUBLGNQC-UHFFFAOYSA-N
XLogP2.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106012185
2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056298
2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106086480
2-(aminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086886
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071279
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-4-methylthiophene-3-sulfonamide
CID 106031154
2-(aminomethyl)-4-methyl-N-(2,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056068
4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79234681
2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide
CID 106078990
3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071272
5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071273

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide (CID 106071250) is 2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide is Cc1cc(NS(=O)(=O)c2c(C)csc2CN)ccn1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide?
The InChIKey is ACVCKBPUBLGNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-8-7-18-11(6-13)12(8)19(16,17)15-10-3-4-14-9(2)5-10/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide?
2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide has a molecular weight of 297.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106071250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).