5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide

C12H15N3O3S2 — CID 106059973

IUPAC5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(CN)s2)cn1
InChIInChI=1S/C12H15N3O3S2/c1-8-5-12(19-10(8)6-13)20(16,17)15-9-3-4-11(18-2)14-7-9/h3-5,7,15H,6,13H2,1-2H3
InChIKeyCPAUIBLTNJHFMK-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.72
Rot. Bonds5

About 5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106059973) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide
PubChem CID106059973
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(CN)s2)cn1
InChIInChI=1S/C12H15N3O3S2/c1-8-5-12(19-10(8)6-13)20(16,17)15-9-3-4-11(18-2)14-7-9/h3-5,7,15H,6,13H2,1-2H3
InChIKeyCPAUIBLTNJHFMK-UHFFFAOYSA-N
XLogP1.72
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106076647
5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 106059520
5-(aminomethyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088719
5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
CID 106061445
6-(aminomethyl)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 114613006
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106070845
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106076817
5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106071815
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62149708
5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057731

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide (CID 106059973) is 5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(C)c(CN)s2)cn1.
What is the InChIKey of 5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is CPAUIBLTNJHFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-8-5-12(19-10(8)6-13)20(16,17)15-9-3-4-11(18-2)14-7-9/h3-5,7,15H,6,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106059973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).