N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine

C12H26N2OS — CID 106445105

IUPACN-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)C1CSCCN1C
InChIInChI=1S/C12H26N2OS/c1-5-13-11(8-15-10(2)3)12-9-16-7-6-14(12)4/h10-13H,5-9H2,1-4H3
InChIKeyAZEIZEGYAXBDJA-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.44
Rot. Bonds6

About N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine

N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine (PubChem CID 106445105) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine
PubChem CID106445105
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)C1CSCCN1C
InChIInChI=1S/C12H26N2OS/c1-5-13-11(8-15-10(2)3)12-9-16-7-6-14(12)4/h10-13H,5-9H2,1-4H3
InChIKeyAZEIZEGYAXBDJA-UHFFFAOYSA-N
XLogP1.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine (CID 106445105) is N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine is CCNC(COC(C)C)C1CSCCN1C.
What is the InChIKey of N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
The InChIKey is AZEIZEGYAXBDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-5-13-11(8-15-10(2)3)12-9-16-7-6-14(12)4/h10-13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine has a molecular weight of 246.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 106445105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).