N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide

C13H18N2O2S — CID 4145281

IUPACN-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide
SMILESCCC1CCCCN1C(=S)NC(=O)c1ccco1
InChIInChI=1S/C13H18N2O2S/c1-2-10-6-3-4-8-15(10)13(18)14-12(16)11-7-5-9-17-11/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,16,18)
InChIKeyVIYSTVSRXIOKRF-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.56
Rot. Bonds2

About N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide

N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide (PubChem CID 4145281) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide
PubChem CID4145281
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide
SMILESCCC1CCCCN1C(=S)NC(=O)c1ccco1
InChIInChI=1S/C13H18N2O2S/c1-2-10-6-3-4-8-15(10)13(18)14-12(16)11-7-5-9-17-11/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,16,18)
InChIKeyVIYSTVSRXIOKRF-UHFFFAOYSA-N
XLogP2.56
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
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-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide?
The IUPAC name of N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide (CID 4145281) is N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide?
The canonical SMILES for N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide is CCC1CCCCN1C(=S)NC(=O)c1ccco1.
What is the InChIKey of N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide?
The InChIKey is VIYSTVSRXIOKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-10-6-3-4-8-15(10)13(18)14-12(16)11-7-5-9-17-11/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,16,18).
What are the key properties of N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide?
N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpiperidine-1-carbothioyl)furan-2-carboxamide is sourced from PubChem (CID 4145281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).