2-piperidin-1-ylpyridine-4-carbothioamide

C11H15N3S — CID 3002236

IUPAC2-piperidin-1-ylpyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C11H15N3S/c12-11(15)9-4-5-13-10(8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H2,12,15)
InChIKeyFTQVWBWEAFLVLX-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.71
Rot. Bonds2

About 2-piperidin-1-ylpyridine-4-carbothioamide

2-piperidin-1-ylpyridine-4-carbothioamide (PubChem CID 3002236) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-piperidin-1-ylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-piperidin-1-ylpyridine-4-carbothioamide
PubChem CID3002236
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-piperidin-1-ylpyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C11H15N3S/c12-11(15)9-4-5-13-10(8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H2,12,15)
InChIKeyFTQVWBWEAFLVLX-UHFFFAOYSA-N
XLogP1.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.71
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 2-piperidin-1-ylpyridine-4-carbothioamide?
The IUPAC name of 2-piperidin-1-ylpyridine-4-carbothioamide (CID 3002236) is 2-piperidin-1-ylpyridine-4-carbothioamide.
What is the SMILES notation for 2-piperidin-1-ylpyridine-4-carbothioamide?
The canonical SMILES for 2-piperidin-1-ylpyridine-4-carbothioamide is NC(=S)c1ccnc(N2CCCCC2)c1.
What is the InChIKey of 2-piperidin-1-ylpyridine-4-carbothioamide?
The InChIKey is FTQVWBWEAFLVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c12-11(15)9-4-5-13-10(8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H2,12,15).
What are the key properties of 2-piperidin-1-ylpyridine-4-carbothioamide?
2-piperidin-1-ylpyridine-4-carbothioamide has a molecular weight of 221.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpyridine-4-carbothioamide is sourced from PubChem (CID 3002236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).