N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine

C11H18N2OS — CID 83008903

IUPACN-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine
SMILESCCc1ccc(CNN2CCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-2-10-3-4-11(15-10)9-12-13-5-7-14-8-6-13/h3-4,12H,2,5-9H2,1H3
InChIKeyBGXOGGWHHUIVIB-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.65
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine

N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine (PubChem CID 83008903) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine
PubChem CID83008903
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine
SMILESCCc1ccc(CNN2CCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-2-10-3-4-11(15-10)9-12-13-5-7-14-8-6-13/h3-4,12H,2,5-9H2,1H3
InChIKeyBGXOGGWHHUIVIB-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine (CID 83008903) is N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine is CCc1ccc(CNN2CCOCC2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine?
The InChIKey is BGXOGGWHHUIVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-10-3-4-11(15-10)9-12-13-5-7-14-8-6-13/h3-4,12H,2,5-9H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine?
N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine has a molecular weight of 226.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]morpholin-4-amine is sourced from PubChem (CID 83008903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).