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

C13H20N4O3S — CID 106076915

IUPAC4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C13H20N4O3S/c1-8-11(7-17(4)16-8)6-15-21(18,19)13-10(3)20-9(2)12(13)5-14/h7,15H,5-6,14H2,1-4H3
InChIKeyJZEUTFGAELGNRQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.88
Rot. Bonds5

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

4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide (PubChem CID 106076915) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
PubChem CID106076915
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C13H20N4O3S/c1-8-11(7-17(4)16-8)6-15-21(18,19)13-10(3)20-9(2)12(13)5-14/h7,15H,5-6,14H2,1-4H3
InChIKeyJZEUTFGAELGNRQ-UHFFFAOYSA-N
XLogP0.88
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71807015
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 95163316
(1S)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 100678251
1-tert-butyl-3,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-4-sulfonamide
CID 53599301
N-((2,5-dimethylfuran-3-yl)methyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806369
1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
CID 42282996
1-(2,5-dimethylfuran-3-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43752010
2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carboxamide
CID 60493413
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61832762
3-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 61849961
3-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 61849962
1-(2,5-dimethylfuran-3-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 61850582

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide (CID 106076915) is 4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide is Cc1nn(C)cc1CNS(=O)(=O)c1c(C)oc(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is JZEUTFGAELGNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-8-11(7-17(4)16-8)6-15-21(18,19)13-10(3)20-9(2)12(13)5-14/h7,15H,5-6,14H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide?
4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 106076915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).