N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine

C12H20N2OS — CID 83100391

IUPACN-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1CCc1cccs1
InChIInChI=1S/C12H20N2OS/c1-13-9-11-10-15-7-6-14(11)5-4-12-3-2-8-16-12/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeySYZLTYPOYYTKTG-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.21
Rot. Bonds5

About N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine

N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine (PubChem CID 83100391) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine
PubChem CID83100391
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1CCc1cccs1
InChIInChI=1S/C12H20N2OS/c1-13-9-11-10-15-7-6-14(11)5-4-12-3-2-8-16-12/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeySYZLTYPOYYTKTG-UHFFFAOYSA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine (CID 83100391) is N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine is CNCC1COCCN1CCc1cccs1.
What is the InChIKey of N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine?
The InChIKey is SYZLTYPOYYTKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-13-9-11-10-15-7-6-14(11)5-4-12-3-2-8-16-12/h2-3,8,11,13H,4-7,9-10H2,1H3.
What are the key properties of N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine?
N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine has a molecular weight of 240.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine is sourced from PubChem (CID 83100391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).