(5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid

C14H21ClN2O5S — CID 71786061

IUPAC(5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
SMILESCN(CCO)CC1COCCN1C(=O)c1ccc(Cl)s1.O=CO
InChIInChI=1S/C13H19ClN2O3S.CH2O2/c1-15(4-6-17)8-10-9-19-7-5-16(10)13(18)11-2-3-12(14)20-11;2-1-3/h2-3,10,17H,4-9H2,1H3;1H,(H,2,3)
InChIKeyKINUDKNYGAVSCV-UHFFFAOYSA-N
MW364.85 g/mol
LogP0.87
Rot. Bonds5

About (5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid

(5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid (PubChem CID 71786061) has the molecular formula C14H21ClN2O5S and a molecular weight of 364.85 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
PubChem CID71786061
Molecular FormulaC14H21ClN2O5S
Molecular Weight364.85 g/mol
Exact Mass364.09
IUPAC Name(5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
SMILESCN(CCO)CC1COCCN1C(=O)c1ccc(Cl)s1.O=CO
InChIInChI=1S/C13H19ClN2O3S.CH2O2/c1-15(4-6-17)8-10-9-19-7-5-16(10)13(18)11-2-3-12(14)20-11;2-1-3/h2-3,10,17H,4-9H2,1H3;1H,(H,2,3)
InChIKeyKINUDKNYGAVSCV-UHFFFAOYSA-N
XLogP0.87
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid (CID 71786061) is (5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid is CN(CCO)CC1COCCN1C(=O)c1ccc(Cl)s1.O=CO.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
The InChIKey is KINUDKNYGAVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S.CH2O2/c1-15(4-6-17)8-10-9-19-7-5-16(10)13(18)11-2-3-12(14)20-11;2-1-3/h2-3,10,17H,4-9H2,1H3;1H,(H,2,3).
What are the key properties of (5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
(5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid has a molecular weight of 364.85 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid is sourced from PubChem (CID 71786061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).