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

C9H20N2OS — CID 106114859

IUPAC2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine
SMILESCOC(CN)CN1CCSCC1C
InChIInChI=1S/C9H20N2OS/c1-8-7-13-4-3-11(8)6-9(5-10)12-2/h8-9H,3-7,10H2,1-2H3
InChIKeyCZHIEYBMLHWGIN-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.40
Rot. Bonds4

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

2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine (PubChem CID 106114859) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine
PubChem CID106114859
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine
SMILESCOC(CN)CN1CCSCC1C
InChIInChI=1S/C9H20N2OS/c1-8-7-13-4-3-11(8)6-9(5-10)12-2/h8-9H,3-7,10H2,1-2H3
InChIKeyCZHIEYBMLHWGIN-UHFFFAOYSA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine
CID 103152569
2-methoxy-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 106114423
4-(2-fluorobutyl)-3-methylthiomorpholine
CID 130684425
1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine
CID 81170046
3-(2-cyclopentylpyrrolidin-1-yl)-2-methoxypropan-1-amine
CID 106114735
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine
CID 106115066
2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
CID 107132759
2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine
CID 115287874
2-methoxy-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 106114983
4-amino-3-methoxy-1-(3-phenylthiomorpholin-4-yl)butan-1-one;hydrochloride
CID 120588087
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide
CID 77015831
2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 106115086

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine?
The IUPAC name of 2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine (CID 106114859) is 2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine is COC(CN)CN1CCSCC1C.
What is the InChIKey of 2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine?
The InChIKey is CZHIEYBMLHWGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-8-7-13-4-3-11(8)6-9(5-10)12-2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine?
2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine has a molecular weight of 204.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 106114859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).