N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine

C13H20N2O2S — CID 166447485

IUPACN-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine
SMILESC=COCCN(C)c1ccc(N2CCOCC2)s1
InChIInChI=1S/C13H20N2O2S/c1-3-16-9-6-14(2)12-4-5-13(18-12)15-7-10-17-11-8-15/h3-5H,1,6-11H2,2H3
InChIKeyLUYZETNKSOTGAP-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.18
Rot. Bonds6

About N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine

N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine (PubChem CID 166447485) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine.

Molecular Properties

Compound NameN-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine
PubChem CID166447485
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine
SMILESC=COCCN(C)c1ccc(N2CCOCC2)s1
InChIInChI=1S/C13H20N2O2S/c1-3-16-9-6-14(2)12-4-5-13(18-12)15-7-10-17-11-8-15/h3-5H,1,6-11H2,2H3
InChIKeyLUYZETNKSOTGAP-UHFFFAOYSA-N
XLogP2.18
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine?
The IUPAC name of N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine (CID 166447485) is N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine.
What is the SMILES notation for N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine?
The canonical SMILES for N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine is C=COCCN(C)c1ccc(N2CCOCC2)s1.
What is the InChIKey of N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine?
The InChIKey is LUYZETNKSOTGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-16-9-6-14(2)12-4-5-13(18-12)15-7-10-17-11-8-15/h3-5H,1,6-11H2,2H3.
What are the key properties of N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine?
N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine has a molecular weight of 268.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethyl)-N-methyl-5-morpholin-4-ylthiophen-2-amine is sourced from PubChem (CID 166447485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).