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

C15H24N2O5S — CID 71785979

IUPACformic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCN(CCO)CC1COCCN1C(=O)Cc1cccs1.O=CO
InChIInChI=1S/C14H22N2O3S.CH2O2/c1-15(4-6-17)10-12-11-19-7-5-16(12)14(18)9-13-3-2-8-20-13;2-1-3/h2-3,8,12,17H,4-7,9-11H2,1H3;1H,(H,2,3)
InChIKeyJOPGURYSGXZFTI-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.14
Rot. Bonds6

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

formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 71785979) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Nameformic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID71785979
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Nameformic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCN(CCO)CC1COCCN1C(=O)Cc1cccs1.O=CO
InChIInChI=1S/C14H22N2O3S.CH2O2/c1-15(4-6-17)10-12-11-19-7-5-16(12)14(18)9-13-3-2-8-20-13;2-1-3/h2-3,8,12,17H,4-7,9-11H2,1H3;1H,(H,2,3)
InChIKeyJOPGURYSGXZFTI-UHFFFAOYSA-N
XLogP0.14
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone with MolForge

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Related Compounds

(3-(((2-Hydroxyethyl)(methyl)amino)methyl)morpholino)(1-(thiophen-2-yl)cyclopentyl)methanone formate
CID 71786047
Morpholine, 4-(2-thienylacetyl)-
CID 531781
N-[2-(morpholin-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 670829
Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 762661
1-[3-(Hydroxymethyl)morpholin-4-yl]-2-(thiophen-2-yl)ethan-1-one
CID 71785819
[3-[(Dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 71786046
[3-[[2-Hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 71786048
1-[3-(2-Methylpropyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 72042474
1-[(4aR,7aS)-4-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-2-ylethanone
CID 97402775
N,N-dimethyl-2-{4-[3-(2-thienyl)propanoyl]-2-morpholinyl}ethanamine
CID 45234796
1-(3,5-Dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71683936
(3-((Dimethylamino)methyl)morpholino)(1-(thiophen-2-yl)cyclopentyl)methanone formate
CID 71786045

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone (CID 71785979) is formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone is CN(CCO)CC1COCCN1C(=O)Cc1cccs1.O=CO.
What is the InChIKey of formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is JOPGURYSGXZFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.CH2O2/c1-15(4-6-17)10-12-11-19-7-5-16(12)14(18)9-13-3-2-8-20-13;2-1-3/h2-3,8,12,17H,4-7,9-11H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 344.43 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 71785979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).