2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone

C11H13NOS — CID 118140915

IUPAC2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone
SMILESC#CCN(CC)CC(=O)c1ccsc1
InChIInChI=1S/C11H13NOS/c1-3-6-12(4-2)8-11(13)10-5-7-14-9-10/h1,5,7,9H,4,6,8H2,2H3
InChIKeyKQHRXNNFHPCGEU-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.89
Rot. Bonds5

About 2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone

2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone (PubChem CID 118140915) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone
PubChem CID118140915
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone
SMILESC#CCN(CC)CC(=O)c1ccsc1
InChIInChI=1S/C11H13NOS/c1-3-6-12(4-2)8-11(13)10-5-7-14-9-10/h1,5,7,9H,4,6,8H2,2H3
InChIKeyKQHRXNNFHPCGEU-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone?
The IUPAC name of 2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone (CID 118140915) is 2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone?
The canonical SMILES for 2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone is C#CCN(CC)CC(=O)c1ccsc1.
What is the InChIKey of 2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone?
The InChIKey is KQHRXNNFHPCGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-3-6-12(4-2)8-11(13)10-5-7-14-9-10/h1,5,7,9H,4,6,8H2,2H3.
What are the key properties of 2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone?
2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone has a molecular weight of 207.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone is sourced from PubChem (CID 118140915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).