2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide

C14H19N3O3S — CID 106065515

IUPAC2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)Nc1ccncc1C
InChIInChI=1S/C14H19N3O3S/c1-9-7-16-6-5-13(9)17-21(18,19)14-11(3)20-10(2)12(14)8-15-4/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyXENLPCXYDCQHJL-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.12
Rot. Bonds5

About 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide

2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide (PubChem CID 106065515) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
PubChem CID106065515
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)Nc1ccncc1C
InChIInChI=1S/C14H19N3O3S/c1-9-7-16-6-5-13(9)17-21(18,19)14-11(3)20-10(2)12(14)8-15-4/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyXENLPCXYDCQHJL-UHFFFAOYSA-N
XLogP2.12
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106061031
2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065542
5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
CID 106065482
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669668
3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide
CID 106065507
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid
CID 63671711
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059178
N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065488
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 55233131

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide (CID 106065515) is 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide is CNCc1c(C)oc(C)c1S(=O)(=O)Nc1ccncc1C.
What is the InChIKey of 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide?
The InChIKey is XENLPCXYDCQHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-7-16-6-5-13(9)17-21(18,19)14-11(3)20-10(2)12(14)8-15-4/h5-7,15H,8H2,1-4H3,(H,16,17).
What are the key properties of 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide?
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide is sourced from PubChem (CID 106065515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).