6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide

C11H13N3O3S — CID 114613762

IUPAC6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2ccoc2)cn1
InChIInChI=1S/C11H13N3O3S/c12-5-10-1-2-11(7-13-10)18(15,16)14-6-9-3-4-17-8-9/h1-4,7-8,14H,5-6,12H2
InChIKeyADFLKWXIPBTMRO-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.61
Rot. Bonds5

About 6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide

6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 114613762) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID114613762
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2ccoc2)cn1
InChIInChI=1S/C11H13N3O3S/c12-5-10-1-2-11(7-13-10)18(15,16)14-6-9-3-4-17-8-9/h1-4,7-8,14H,5-6,12H2
InChIKeyADFLKWXIPBTMRO-UHFFFAOYSA-N
XLogP0.61
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide (CID 114613762) is 6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide is NCc1ccc(S(=O)(=O)NCc2ccoc2)cn1.
What is the InChIKey of 6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is ADFLKWXIPBTMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c12-5-10-1-2-11(7-13-10)18(15,16)14-6-9-3-4-17-8-9/h1-4,7-8,14H,5-6,12H2.
What are the key properties of 6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide?
6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).