4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide

C13H24N2O5S — CID 106001600

IUPAC4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide
SMILESCOCCOCCCNS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C13H24N2O5S/c1-10-12(9-14)13(11(2)20-10)21(16,17)15-5-4-6-19-8-7-18-3/h15H,4-9,14H2,1-3H3
InChIKeyHRJFBAZSPOKZLS-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.69
Rot. Bonds10

About 4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide

4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide (PubChem CID 106001600) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide
PubChem CID106001600
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide
SMILESCOCCOCCCNS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C13H24N2O5S/c1-10-12(9-14)13(11(2)20-10)21(16,17)15-5-4-6-19-8-7-18-3/h15H,4-9,14H2,1-3H3
InChIKeyHRJFBAZSPOKZLS-UHFFFAOYSA-N
XLogP0.69
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2,5-dimethyl-4-sulfamoylfuran-3-carboxamide
CID 45830571
N,2,5-trimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)furan-3-sulfonamide
CID 65773585
4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-sulfonamide
CID 65774542
4-(aminomethyl)-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-sulfonamide
CID 65774730
4-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-sulfonamide
CID 65785005
4-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-sulfonamide
CID 65785780
4-(aminomethyl)-2,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)furan-3-sulfonamide
CID 65786927
4-(aminomethyl)-N-ethyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-sulfonamide
CID 65787091
N-ethyl-2,5-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)furan-3-sulfonamide
CID 65787286
4-(aminomethyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)furan-3-sulfonamide
CID 65796880
4-(ethylaminomethyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)furan-3-sulfonamide
CID 65796881
2,5-dimethyl-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)furan-3-sulfonamide
CID 65798995

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide (CID 106001600) is 4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide is COCCOCCCNS(=O)(=O)c1c(C)oc(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is HRJFBAZSPOKZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-10-12(9-14)13(11(2)20-10)21(16,17)15-5-4-6-19-8-7-18-3/h15H,4-9,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide?
4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of 0.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 106001600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).