N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide

C13H19N3O2S — CID 3218525

IUPACN-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide
SMILESCCNC(=S)N1CCC(NC(=O)c2ccco2)CC1
InChIInChI=1S/C13H19N3O2S/c1-2-14-13(19)16-7-5-10(6-8-16)15-12(17)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3,(H,14,19)(H,15,17)
InChIKeyGQCYBHGQDNELPQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.37
Rot. Bonds3

About N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide

N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 3218525) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID3218525
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide
SMILESCCNC(=S)N1CCC(NC(=O)c2ccco2)CC1
InChIInChI=1S/C13H19N3O2S/c1-2-14-13(19)16-7-5-10(6-8-16)15-12(17)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3,(H,14,19)(H,15,17)
InChIKeyGQCYBHGQDNELPQ-UHFFFAOYSA-N
XLogP1.37
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide (CID 3218525) is N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide is CCNC(=S)N1CCC(NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is GQCYBHGQDNELPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-14-13(19)16-7-5-10(6-8-16)15-12(17)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3,(H,14,19)(H,15,17).
What are the key properties of N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide?
N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 3218525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).