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

C11H17NO3S — CID 46231874

IUPAC3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCN(CCO)CCO)c1cccs1
InChIInChI=1S/C11H17NO3S/c13-7-5-12(6-8-14)4-3-10(15)11-2-1-9-16-11/h1-2,9,13-14H,3-8H2
InChIKeyRAABBENUELYZAM-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.61
Rot. Bonds8

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

3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one (PubChem CID 46231874) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
PubChem CID46231874
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCN(CCO)CCO)c1cccs1
InChIInChI=1S/C11H17NO3S/c13-7-5-12(6-8-14)4-3-10(15)11-2-1-9-16-11/h1-2,9,13-14H,3-8H2
InChIKeyRAABBENUELYZAM-UHFFFAOYSA-N
XLogP0.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one (CID 46231874) is 3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one is O=C(CCN(CCO)CCO)c1cccs1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one?
The InChIKey is RAABBENUELYZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c13-7-5-12(6-8-14)4-3-10(15)11-2-1-9-16-11/h1-2,9,13-14H,3-8H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one?
3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one has a molecular weight of 243.33 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 46231874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).