N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide

C14H21N3O2S — CID 79095992

IUPACN-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC2(C(N)=S)CCN(C)CC2)o1
InChIInChI=1S/C14H21N3O2S/c1-3-10-4-5-11(19-10)12(18)16-14(13(15)20)6-8-17(2)9-7-14/h4-5H,3,6-9H2,1-2H3,(H2,15,20)(H,16,18)
InChIKeyRMLBYHNSMXZWTN-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.32
Rot. Bonds4

About N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide

N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide (PubChem CID 79095992) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide
PubChem CID79095992
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC2(C(N)=S)CCN(C)CC2)o1
InChIInChI=1S/C14H21N3O2S/c1-3-10-4-5-11(19-10)12(18)16-14(13(15)20)6-8-17(2)9-7-14/h4-5H,3,6-9H2,1-2H3,(H2,15,20)(H,16,18)
InChIKeyRMLBYHNSMXZWTN-UHFFFAOYSA-N
XLogP1.32
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide (CID 79095992) is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NC2(C(N)=S)CCN(C)CC2)o1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide?
The InChIKey is RMLBYHNSMXZWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-10-4-5-11(19-10)12(18)16-14(13(15)20)6-8-17(2)9-7-14/h4-5H,3,6-9H2,1-2H3,(H2,15,20)(H,16,18).
What are the key properties of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide?
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 79095992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).