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

C13H17N3O3S — CID 106087975

IUPAC4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
SMILESCc1cncc(NS(=O)(=O)c2c(C)oc(C)c2CN)c1
InChIInChI=1S/C13H17N3O3S/c1-8-4-11(7-15-6-8)16-20(17,18)13-10(3)19-9(2)12(13)5-14/h4,6-7,16H,5,14H2,1-3H3
InChIKeyAOYVZPXFALVYHJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.86
Rot. Bonds4

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

4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide (PubChem CID 106087975) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
PubChem CID106087975
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
SMILESCc1cncc(NS(=O)(=O)c2c(C)oc(C)c2CN)c1
InChIInChI=1S/C13H17N3O3S/c1-8-4-11(7-15-6-8)16-20(17,18)13-10(3)19-9(2)12(13)5-14/h4,6-7,16H,5,14H2,1-3H3
InChIKeyAOYVZPXFALVYHJ-UHFFFAOYSA-N
XLogP1.86
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106067063
3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106088096
3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 110727384
4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106061164
5-(ethylaminomethyl)-2-methyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106088026
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106037013
5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088022
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
5-(aminomethyl)-1-ethyl-N-(5-methyl-3-pyridinyl)pyrrole-3-sulfonamide
CID 106087981
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 143921222
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107584635

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide (CID 106087975) is 4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide is Cc1cncc(NS(=O)(=O)c2c(C)oc(C)c2CN)c1.
What is the InChIKey of 4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide?
The InChIKey is AOYVZPXFALVYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8-4-11(7-15-6-8)16-20(17,18)13-10(3)19-9(2)12(13)5-14/h4,6-7,16H,5,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide?
4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide is sourced from PubChem (CID 106087975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).