(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane

C12H19NS — CID 143288880

IUPAC(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane
SMILESC=C1C(=S)NCC/C1=C/C=C\C.CC
InChIInChI=1S/C10H13NS.C2H6/c1-3-4-5-9-6-7-11-10(12)8(9)2;1-2/h3-5H,2,6-7H2,1H3,(H,11,12);1-2H3/b4-3-,9-5-;
InChIKeyAJEKCKZFTYQRSO-UPOARCEASA-N
MW209.36 g/mol
LogP3.39
Rot. Bonds1

About (4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane

(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane (PubChem CID 143288880) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane.

Molecular Properties

Compound Name(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane
PubChem CID143288880
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane
SMILESC=C1C(=S)NCC/C1=C/C=C\C.CC
InChIInChI=1S/C10H13NS.C2H6/c1-3-4-5-9-6-7-11-10(12)8(9)2;1-2/h3-5H,2,6-7H2,1H3,(H,11,12);1-2H3/b4-3-,9-5-;
InChIKeyAJEKCKZFTYQRSO-UPOARCEASA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane?
The IUPAC name of (4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane (CID 143288880) is (4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane.
What is the SMILES notation for (4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane?
The canonical SMILES for (4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane is C=C1C(=S)NCC/C1=C/C=C\C.CC.
What is the InChIKey of (4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane?
The InChIKey is AJEKCKZFTYQRSO-UPOARCEASA-N. The full InChI is InChI=1S/C10H13NS.C2H6/c1-3-4-5-9-6-7-11-10(12)8(9)2;1-2/h3-5H,2,6-7H2,1H3,(H,11,12);1-2H3/b4-3-,9-5-;.
What are the key properties of (4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane?
(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane has a molecular weight of 209.36 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane is sourced from PubChem (CID 143288880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).