1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide

C14H20N2OS2 — CID 107160923

IUPAC1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide
SMILESCCc1ccc(C(=O)N2CCC(C)(C(N)=S)CC2)s1
InChIInChI=1S/C14H20N2OS2/c1-3-10-4-5-11(19-10)12(17)16-8-6-14(2,7-9-16)13(15)18/h4-5H,3,6-9H2,1-2H3,(H2,15,18)
InChIKeyLZIVKXNQIKGYOJ-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.84
Rot. Bonds3

About 1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide

1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide (PubChem CID 107160923) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide
PubChem CID107160923
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide
SMILESCCc1ccc(C(=O)N2CCC(C)(C(N)=S)CC2)s1
InChIInChI=1S/C14H20N2OS2/c1-3-10-4-5-11(19-10)12(17)16-8-6-14(2,7-9-16)13(15)18/h4-5H,3,6-9H2,1-2H3,(H2,15,18)
InChIKeyLZIVKXNQIKGYOJ-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.84
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 1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide (CID 107160923) is 1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide is CCc1ccc(C(=O)N2CCC(C)(C(N)=S)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide?
The InChIKey is LZIVKXNQIKGYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-3-10-4-5-11(19-10)12(17)16-8-6-14(2,7-9-16)13(15)18/h4-5H,3,6-9H2,1-2H3,(H2,15,18).
What are the key properties of 1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide?
1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide has a molecular weight of 296.46 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107160923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).