methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate

C16H24N2O6S — CID 71910390

IUPACmethyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)NC2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C16H24N2O6S/c1-11(2)8-14(19)18-6-4-13(5-7-18)17-25(21,22)15-9-12(10-24-15)16(20)23-3/h9-11,13,17H,4-8H2,1-3H3
InChIKeyDAPHCEQKWCNXAT-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.38
Rot. Bonds6

About methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate

methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate (PubChem CID 71910390) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate
PubChem CID71910390
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Namemethyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)NC2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C16H24N2O6S/c1-11(2)8-14(19)18-6-4-13(5-7-18)17-25(21,22)15-9-12(10-24-15)16(20)23-3/h9-11,13,17H,4-8H2,1-3H3
InChIKeyDAPHCEQKWCNXAT-UHFFFAOYSA-N
XLogP1.38
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate (CID 71910390) is methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate is COC(=O)c1coc(S(=O)(=O)NC2CCN(C(=O)CC(C)C)CC2)c1.
What is the InChIKey of methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate?
The InChIKey is DAPHCEQKWCNXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-11(2)8-14(19)18-6-4-13(5-7-18)17-25(21,22)15-9-12(10-24-15)16(20)23-3/h9-11,13,17H,4-8H2,1-3H3.
What are the key properties of methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate?
methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate has a molecular weight of 372.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 71910390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).