1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone

C14H22N2O3S — CID 71785980

IUPAC1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCN(CCO)CC1COCCN1C(=O)Cc1cccs1
InChIInChI=1S/C14H22N2O3S/c1-15(4-6-17)10-12-11-19-7-5-16(12)14(18)9-13-3-2-8-20-13/h2-3,8,12,17H,4-7,9-11H2,1H3
InChIKeyGROWXJNNJVGBPH-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.44
Rot. Bonds6

About 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone

1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 71785980) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID71785980
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCN(CCO)CC1COCCN1C(=O)Cc1cccs1
InChIInChI=1S/C14H22N2O3S/c1-15(4-6-17)10-12-11-19-7-5-16(12)14(18)9-13-3-2-8-20-13/h2-3,8,12,17H,4-7,9-11H2,1H3
InChIKeyGROWXJNNJVGBPH-UHFFFAOYSA-N
XLogP0.44
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone (CID 71785980) is 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone is CN(CCO)CC1COCCN1C(=O)Cc1cccs1.
What is the InChIKey of 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is GROWXJNNJVGBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15(4-6-17)10-12-11-19-7-5-16(12)14(18)9-13-3-2-8-20-13/h2-3,8,12,17H,4-7,9-11H2,1H3.
What are the key properties of 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 298.41 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 71785980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).