2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one

C11H17NOS — CID 44542955

IUPAC2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one
SMILESCC(NC(C)(C)C)C(=O)c1cccs1
InChIInChI=1S/C11H17NOS/c1-8(12-11(2,3)4)10(13)9-6-5-7-14-9/h5-8,12H,1-4H3
InChIKeyJBABGZDZOMSKLX-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.71
Rot. Bonds3

About 2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one

2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one (PubChem CID 44542955) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one
PubChem CID44542955
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one
SMILESCC(NC(C)(C)C)C(=O)c1cccs1
InChIInChI=1S/C11H17NOS/c1-8(12-11(2,3)4)10(13)9-6-5-7-14-9/h5-8,12H,1-4H3
InChIKeyJBABGZDZOMSKLX-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one (CID 44542955) is 2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one is CC(NC(C)(C)C)C(=O)c1cccs1.
What is the InChIKey of 2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is JBABGZDZOMSKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(12-11(2,3)4)10(13)9-6-5-7-14-9/h5-8,12H,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one?
2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 211.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 44542955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).