5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine

C12H16N4O3S — CID 113011375

IUPAC5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccco2)nc1
InChIInChI=1S/C12H16N4O3S/c1-16(2)20(17,18)15-10-5-6-12(13-8-10)14-9-11-4-3-7-19-11/h3-8,15H,9H2,1-2H3,(H,13,14)
InChIKeyQLWVJVGMIKRQMQ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.50
Rot. Bonds6

About 5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine

5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine (PubChem CID 113011375) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine.

Molecular Properties

Compound Name5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine
PubChem CID113011375
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccco2)nc1
InChIInChI=1S/C12H16N4O3S/c1-16(2)20(17,18)15-10-5-6-12(13-8-10)14-9-11-4-3-7-19-11/h3-8,15H,9H2,1-2H3,(H,13,14)
InChIKeyQLWVJVGMIKRQMQ-UHFFFAOYSA-N
XLogP1.50
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
5-(dimethylsulfamoylamino)-2-(methylamino)pyridine
CID 115268515
N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113011417
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113026308
5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 113011418
4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113026312
2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine
CID 113012557
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026320
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317
3-amino-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
CID 39179353
5-bromo-N-(furan-2-ylmethyl)pyridin-2-amine
CID 28541636
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine?
The IUPAC name of 5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine (CID 113011375) is 5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine.
What is the SMILES notation for 5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine?
The canonical SMILES for 5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine is CN(C)S(=O)(=O)Nc1ccc(NCc2ccco2)nc1.
What is the InChIKey of 5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine?
The InChIKey is QLWVJVGMIKRQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-16(2)20(17,18)15-10-5-6-12(13-8-10)14-9-11-4-3-7-19-11/h3-8,15H,9H2,1-2H3,(H,13,14).
What are the key properties of 5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine?
5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine has a molecular weight of 296.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine is sourced from PubChem (CID 113011375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).