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

C13H24N2O4S — CID 106074131

IUPAC4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C13H24N2O4S/c1-4-7-18-8-5-6-15-20(16,17)13-11(3)19-10(2)12(13)9-14/h15H,4-9,14H2,1-3H3
InChIKeyOEPGGURGXUNIDE-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.45
Rot. Bonds9

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

4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide (PubChem CID 106074131) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide
PubChem CID106074131
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C13H24N2O4S/c1-4-7-18-8-5-6-15-20(16,17)13-11(3)19-10(2)12(13)9-14/h15H,4-9,14H2,1-3H3
InChIKeyOEPGGURGXUNIDE-UHFFFAOYSA-N
XLogP1.45
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide (CID 106074131) is 4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide is CCCOCCCNS(=O)(=O)c1c(C)oc(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide?
The InChIKey is OEPGGURGXUNIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-4-7-18-8-5-6-15-20(16,17)13-11(3)19-10(2)12(13)9-14/h15H,4-9,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide?
4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide has a molecular weight of 304.41 g/mol, XLogP of 1.45, 9 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-(3-propoxypropyl)furan-3-sulfonamide is sourced from PubChem (CID 106074131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).