3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one

C12H19NO2S — CID 46231872

IUPAC3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one
SMILESCC(C)N(CCO)CCC(=O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(2)13(7-8-14)6-5-11(15)12-4-3-9-16-12/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyYWRNUTRYOVUJCI-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.02
Rot. Bonds7

About 3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one

3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one (PubChem CID 46231872) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one
PubChem CID46231872
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one
SMILESCC(C)N(CCO)CCC(=O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(2)13(7-8-14)6-5-11(15)12-4-3-9-16-12/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyYWRNUTRYOVUJCI-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one (CID 46231872) is 3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one is CC(C)N(CCO)CCC(=O)c1cccs1.
What is the InChIKey of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one?
The InChIKey is YWRNUTRYOVUJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(2)13(7-8-14)6-5-11(15)12-4-3-9-16-12/h3-4,9-10,14H,5-8H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one?
3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one has a molecular weight of 241.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 46231872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).