methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate

C14H24N2O5S — CID 71910388

IUPACmethyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)NCCCCN(C)C(C)C)c1
InChIInChI=1S/C14H24N2O5S/c1-11(2)16(3)8-6-5-7-15-22(18,19)13-9-12(10-21-13)14(17)20-4/h9-11,15H,5-8H2,1-4H3
InChIKeyVRVOVOYGSXXGAE-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.46
Rot. Bonds9

About methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate

methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate (PubChem CID 71910388) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate
PubChem CID71910388
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Namemethyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)NCCCCN(C)C(C)C)c1
InChIInChI=1S/C14H24N2O5S/c1-11(2)16(3)8-6-5-7-15-22(18,19)13-9-12(10-21-13)14(17)20-4/h9-11,15H,5-8H2,1-4H3
InChIKeyVRVOVOYGSXXGAE-UHFFFAOYSA-N
XLogP1.46
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate (CID 71910388) is methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate is COC(=O)c1coc(S(=O)(=O)NCCCCN(C)C(C)C)c1.
What is the InChIKey of methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate?
The InChIKey is VRVOVOYGSXXGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-11(2)16(3)8-6-5-7-15-22(18,19)13-9-12(10-21-13)14(17)20-4/h9-11,15H,5-8H2,1-4H3.
What are the key properties of methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate?
methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate has a molecular weight of 332.42 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 71910388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).