(4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone

C11H13NOS — CID 58902714

IUPAC(4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone
SMILESC=C1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C11H13NOS/c1-9-2-5-12(6-3-9)11(13)10-4-7-14-8-10/h4,7-8H,1-3,5-6H2
InChIKeyWGTXYMRXJCRETJ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.54
Rot. Bonds1

About (4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone

(4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone (PubChem CID 58902714) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone
PubChem CID58902714
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone
SMILESC=C1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C11H13NOS/c1-9-2-5-12(6-3-9)11(13)10-4-7-14-8-10/h4,7-8H,1-3,5-6H2
InChIKeyWGTXYMRXJCRETJ-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 12289911
CID 12289911
CID 49670377
CID 49670377
CID 51270491
CID 51270491
CID 71792650
CID 71792650
CID 72118345
CID 72118345
CID 97493554
CID 97493554
CID 53191699
CID 53191699
CID 110201368
CID 110201368
CID 86264443
CID 86264443
CID 12926531
CID 12926531
CID 39966818
CID 39966818
CID 13305450
CID 13305450

Frequently Asked Questions

What is the IUPAC name of (4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone (CID 58902714) is (4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone is C=C1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of (4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is WGTXYMRXJCRETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-9-2-5-12(6-3-9)11(13)10-4-7-14-8-10/h4,7-8H,1-3,5-6H2.
What are the key properties of (4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone?
(4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 207.30 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenepiperidin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 58902714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).