N-pyridin-3-ylpiperidine-1-carbothioamide

C11H15N3S — CID 715413

IUPACN-pyridin-3-ylpiperidine-1-carbothioamide
SMILESS=C(Nc1cccnc1)N1CCCCC1
InChIInChI=1S/C11H15N3S/c15-11(14-7-2-1-3-8-14)13-10-5-4-6-12-9-10/h4-6,9H,1-3,7-8H2,(H,13,15)
InChIKeyKDHFXBVWHXDRJE-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.26
Rot. Bonds1

About N-pyridin-3-ylpiperidine-1-carbothioamide

N-pyridin-3-ylpiperidine-1-carbothioamide (PubChem CID 715413) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-pyridin-3-ylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-pyridin-3-ylpiperidine-1-carbothioamide
PubChem CID715413
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-pyridin-3-ylpiperidine-1-carbothioamide
SMILESS=C(Nc1cccnc1)N1CCCCC1
InChIInChI=1S/C11H15N3S/c15-11(14-7-2-1-3-8-14)13-10-5-4-6-12-9-10/h4-6,9H,1-3,7-8H2,(H,13,15)
InChIKeyKDHFXBVWHXDRJE-UHFFFAOYSA-N
XLogP2.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pyridin-3-ylpiperidine-1-carbothioamide?
The IUPAC name of N-pyridin-3-ylpiperidine-1-carbothioamide (CID 715413) is N-pyridin-3-ylpiperidine-1-carbothioamide.
What is the SMILES notation for N-pyridin-3-ylpiperidine-1-carbothioamide?
The canonical SMILES for N-pyridin-3-ylpiperidine-1-carbothioamide is S=C(Nc1cccnc1)N1CCCCC1.
What is the InChIKey of N-pyridin-3-ylpiperidine-1-carbothioamide?
The InChIKey is KDHFXBVWHXDRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c15-11(14-7-2-1-3-8-14)13-10-5-4-6-12-9-10/h4-6,9H,1-3,7-8H2,(H,13,15).
What are the key properties of N-pyridin-3-ylpiperidine-1-carbothioamide?
N-pyridin-3-ylpiperidine-1-carbothioamide has a molecular weight of 221.33 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylpiperidine-1-carbothioamide is sourced from PubChem (CID 715413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).