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

C11H24N2OS — CID 103227271

IUPACN-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine
SMILESCCNCC(COC)N1CCSC(C)C1
InChIInChI=1S/C11H24N2OS/c1-4-12-7-11(9-14-3)13-5-6-15-10(2)8-13/h10-12H,4-9H2,1-3H3
InChIKeyNJRRFICHKCYRKV-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.05
Rot. Bonds6

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

N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine (PubChem CID 103227271) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine
PubChem CID103227271
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine
SMILESCCNCC(COC)N1CCSC(C)C1
InChIInChI=1S/C11H24N2OS/c1-4-12-7-11(9-14-3)13-5-6-15-10(2)8-13/h10-12H,4-9H2,1-3H3
InChIKeyNJRRFICHKCYRKV-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylthiomorpholin-4-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227294
N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589294
N-ethyl-3-methoxy-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503315
2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226580
1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
CID 103226506
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine
CID 103225282
2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226962
N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 103227359
N-ethyl-2-(4-methoxypiperidin-1-yl)pentan-1-amine
CID 83054819
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103226527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine (CID 103227271) is N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine is CCNCC(COC)N1CCSC(C)C1.
What is the InChIKey of N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine?
The InChIKey is NJRRFICHKCYRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-12-7-11(9-14-3)13-5-6-15-10(2)8-13/h10-12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine?
N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine has a molecular weight of 232.39 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 103227271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).