3,6-dihydro-2H-pyridine-1-carbothioamide

C6H10N2S — CID 5110820

IUPAC3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESNC(=S)N1CC=CCC1
InChIInChI=1S/C6H10N2S/c7-6(9)8-4-2-1-3-5-8/h1-2H,3-5H2,(H2,7,9)
InChIKeyHYRXWBPFHNLAHQ-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.49
Rot. Bonds

About 3,6-dihydro-2H-pyridine-1-carbothioamide

3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 5110820) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID5110820
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESNC(=S)N1CC=CCC1
InChIInChI=1S/C6H10N2S/c7-6(9)8-4-2-1-3-5-8/h1-2H,3-5H2,(H2,7,9)
InChIKeyHYRXWBPFHNLAHQ-UHFFFAOYSA-N
XLogP0.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of 3,6-dihydro-2H-pyridine-1-carbothioamide (CID 5110820) is 3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for 3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for 3,6-dihydro-2H-pyridine-1-carbothioamide is NC(=S)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is HYRXWBPFHNLAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c7-6(9)8-4-2-1-3-5-8/h1-2H,3-5H2,(H2,7,9).
What are the key properties of 3,6-dihydro-2H-pyridine-1-carbothioamide?
3,6-dihydro-2H-pyridine-1-carbothioamide has a molecular weight of 142.23 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 5110820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).