N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide

C13H20N4O3S — CID 106076914

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2cn(C)nc2C)c(C)o1
InChIInChI=1S/C13H20N4O3S/c1-9-11(8-17(4)16-9)6-15-21(18,19)13-5-12(7-14-3)20-10(13)2/h5,8,14-15H,6-7H2,1-4H3
InChIKeyJNQGAFCUYJRLQK-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.83
Rot. Bonds6

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 106076914) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
PubChem CID106076914
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2cn(C)nc2C)c(C)o1
InChIInChI=1S/C13H20N4O3S/c1-9-11(8-17(4)16-9)6-15-21(18,19)13-5-12(7-14-3)20-10(13)2/h5,8,14-15H,6-7H2,1-4H3
InChIKeyJNQGAFCUYJRLQK-UHFFFAOYSA-N
XLogP0.83
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 106076963
4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
CID 106076915
2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
4-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22209366
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 22209381
5-amino-3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzenesulfonamide
CID 115989061
4-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115990135
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylbenzenesulfonamide
CID 115989044
2-amino-4,6-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115989060
3-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115989030
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
CID 106078516
2-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106089872

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide (CID 106076914) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)NCc2cn(C)nc2C)c(C)o1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is JNQGAFCUYJRLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-9-11(8-17(4)16-9)6-15-21(18,19)13-5-12(7-14-3)20-10(13)2/h5,8,14-15H,6-7H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106076914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).