5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide

C13H22N2O4S — CID 106019622

IUPAC5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(CNC2CC2)oc1C
InChIInChI=1S/C13H22N2O4S/c1-3-18-7-6-15-20(16,17)13-8-12(19-10(13)2)9-14-11-4-5-11/h8,11,14-15H,3-7,9H2,1-2H3
InChIKeyXXCYRRJRDXAASH-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.15
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide (PubChem CID 106019622) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide
PubChem CID106019622
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(CNC2CC2)oc1C
InChIInChI=1S/C13H22N2O4S/c1-3-18-7-6-15-20(16,17)13-8-12(19-10(13)2)9-14-11-4-5-11/h8,11,14-15H,3-7,9H2,1-2H3
InChIKeyXXCYRRJRDXAASH-UHFFFAOYSA-N
XLogP1.15
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.15
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

5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701683
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)propyl]-2-methylfuran-3-sulfonamide
CID 106017188
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide
CID 106079338
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106424034
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide
CID 106019464
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106019845
5-[(cyclopropylamino)methyl]-N-(4-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 106067476
N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106080376
5-(aminomethyl)-N-(2-cyclohexyloxyethyl)-2-methylfuran-3-sulfonamide
CID 106062887
N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 106001563
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide (CID 106019622) is 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide is CCOCCNS(=O)(=O)c1cc(CNC2CC2)oc1C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide?
The InChIKey is XXCYRRJRDXAASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-3-18-7-6-15-20(16,17)13-8-12(19-10(13)2)9-14-11-4-5-11/h8,11,14-15H,3-7,9H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106019622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).