2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide

C15H22N4S — CID 5218260

IUPAC2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide
SMILESCCC1CCCCN1C(=S)NN=C(C)c1ccccn1
InChIInChI=1S/C15H22N4S/c1-3-13-8-5-7-11-19(13)15(20)18-17-12(2)14-9-4-6-10-16-14/h4,6,9-10,13H,3,5,7-8,11H2,1-2H3,(H,18,20)
InChIKeyMZACWVULBYILQW-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.94
Rot. Bonds3

About 2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide

2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide (PubChem CID 5218260) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide.

Molecular Properties

Compound Name2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide
PubChem CID5218260
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide
SMILESCCC1CCCCN1C(=S)NN=C(C)c1ccccn1
InChIInChI=1S/C15H22N4S/c1-3-13-8-5-7-11-19(13)15(20)18-17-12(2)14-9-4-6-10-16-14/h4,6,9-10,13H,3,5,7-8,11H2,1-2H3,(H,18,20)
InChIKeyMZACWVULBYILQW-UHFFFAOYSA-N
XLogP2.94
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide
CID 90674793
N-(1-pyridin-2-ylethylideneamino)azetidine-1-carbothioamide
CID 3003931
N-[(Z)-1-pyridin-2-ylethylideneamino]-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
CID 5371093
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910440
1-butan-2-yl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
CID 5468466
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide
CID 19654708
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869
N-(2,6-dichlorophenyl)-2-ethylazepane-1-carbothioamide
CID 104691156

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide?
The IUPAC name of 2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide (CID 5218260) is 2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide.
What is the SMILES notation for 2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide?
The canonical SMILES for 2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide is CCC1CCCCN1C(=S)NN=C(C)c1ccccn1.
What is the InChIKey of 2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide?
The InChIKey is MZACWVULBYILQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-13-8-5-7-11-19(13)15(20)18-17-12(2)14-9-4-6-10-16-14/h4,6,9-10,13H,3,5,7-8,11H2,1-2H3,(H,18,20).
What are the key properties of 2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide?
2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide has a molecular weight of 290.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide is sourced from PubChem (CID 5218260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).