5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide

C13H20N2O5S — CID 65387146

IUPAC5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide
SMILESCOCC1CCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)CC1
InChIInChI=1S/C13H20N2O5S/c1-9-12(21(14,17)18)7-11(20-9)13(16)15-5-3-10(4-6-15)8-19-2/h7,10H,3-6,8H2,1-2H3,(H2,14,17,18)
InChIKeyGRJWNISCJIYWMY-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.73
Rot. Bonds4

About 5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide

5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide (PubChem CID 65387146) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide
PubChem CID65387146
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide
SMILESCOCC1CCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)CC1
InChIInChI=1S/C13H20N2O5S/c1-9-12(21(14,17)18)7-11(20-9)13(16)15-5-3-10(4-6-15)8-19-2/h7,10H,3-6,8H2,1-2H3,(H2,14,17,18)
InChIKeyGRJWNISCJIYWMY-UHFFFAOYSA-N
XLogP0.73
TPSA102.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide (CID 65387146) is 5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide is COCC1CCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)CC1.
What is the InChIKey of 5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide?
The InChIKey is GRJWNISCJIYWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9-12(21(14,17)18)7-11(20-9)13(16)15-5-3-10(4-6-15)8-19-2/h7,10H,3-6,8H2,1-2H3,(H2,14,17,18).
What are the key properties of 5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide?
5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 65387146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).