2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide

C12H11NOS — CID 3056610

IUPAC2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide
SMILESC#CCC(CC#C)(C(N)=O)c1ccsc1
InChIInChI=1S/C12H11NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h1-2,5,8-9H,6-7H2,(H2,13,14)
InChIKeyJCHXASITRRNEAH-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.52
Rot. Bonds4

About 2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide

2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide (PubChem CID 3056610) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide.

Molecular Properties

Compound Name2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide
PubChem CID3056610
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide
SMILESC#CCC(CC#C)(C(N)=O)c1ccsc1
InChIInChI=1S/C12H11NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h1-2,5,8-9H,6-7H2,(H2,13,14)
InChIKeyJCHXASITRRNEAH-UHFFFAOYSA-N
XLogP1.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide?
The IUPAC name of 2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide (CID 3056610) is 2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide.
What is the SMILES notation for 2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide?
The canonical SMILES for 2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide is C#CCC(CC#C)(C(N)=O)c1ccsc1.
What is the InChIKey of 2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide?
The InChIKey is JCHXASITRRNEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h1-2,5,8-9H,6-7H2,(H2,13,14).
What are the key properties of 2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide?
2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide has a molecular weight of 217.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynyl-2-thiophen-3-ylpent-4-ynamide is sourced from PubChem (CID 3056610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).