4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide

C12H15N3O2S2 — CID 106062675

IUPAC4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(CN)cs2)cn1
InChIInChI=1S/C12H15N3O2S2/c1-9-2-3-10(6-14-9)7-15-19(16,17)12-4-11(5-13)8-18-12/h2-4,6,8,15H,5,7,13H2,1H3
InChIKeyRGYPEJMWUCLDRO-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.39
Rot. Bonds5

About 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide

4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide (PubChem CID 106062675) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide
PubChem CID106062675
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(CN)cs2)cn1
InChIInChI=1S/C12H15N3O2S2/c1-9-2-3-10(6-14-9)7-15-19(16,17)12-4-11(5-13)8-18-12/h2-4,6,8,15H,5,7,13H2,1H3
InChIKeyRGYPEJMWUCLDRO-UHFFFAOYSA-N
XLogP1.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Pyridinyl)-2-thiophenesulfonamide
CID 2760514
trans-(1S,2R)-N-methyl-1-pyridin-3-yl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]cyclohexane-1-carbothioamide
CID 10047940
5-(2-pyridinyl)-N-[2-(2-pyridinyl)ethyl]-2-thiophenesulfonamide
CID 2738785
(5-Methyl-thiophen-2-ylmethyl)-pyridin-3-ylmethyl-amine hydrochloride
CID 2975334
N-(2-(4-ethylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)thiophene-2-sulfonamide
CID 16194574
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
3-{4-[4-(Methylsulfonyl)phenyl]-1,3-thiazol-2-yl}pyridine
CID 16413299
Thiophene-2-sulfonic acid pyridin-3-ylamide
CID 651720
5-bromo-N-(3-pyridinylmethyl)-2-thiophenesulfonamide
CID 662666
5-bromo-N-(pyridin-4-ylmethyl)-2-thiophenesulfonamide
CID 936105
N-Methyl-1-[5-phenyl-1-(2-thienylsulfonyl)-1H-pyrrol-3-yl]methanamine hydrochloride
CID 57522260
N-Methyl-1-[5-phenyl-1-(3-thienylsulfonyl)-1H-pyrrol-3-yl]methanamine hydrochloride
CID 57522379

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide (CID 106062675) is 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(CN)cs2)cn1.
What is the InChIKey of 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide?
The InChIKey is RGYPEJMWUCLDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9-2-3-10(6-14-9)7-15-19(16,17)12-4-11(5-13)8-18-12/h2-4,6,8,15H,5,7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide?
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106062675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).