2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one

C9H18N2O2S — CID 81088355

IUPAC2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one
SMILESCOCC(N)C(=O)N1CCSCC1C
InChIInChI=1S/C9H18N2O2S/c1-7-6-14-4-3-11(7)9(12)8(10)5-13-2/h7-8H,3-6,10H2,1-2H3
InChIKeySRYZOLWATQUEFF-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.08
Rot. Bonds3

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

2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one (PubChem CID 81088355) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one
PubChem CID81088355
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one
SMILESCOCC(N)C(=O)N1CCSCC1C
InChIInChI=1S/C9H18N2O2S/c1-7-6-14-4-3-11(7)9(12)8(10)5-13-2/h7-8H,3-6,10H2,1-2H3
InChIKeySRYZOLWATQUEFF-UHFFFAOYSA-N
XLogP-0.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81102347
2-amino-3-methoxy-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 120990207
3-methyl-1-(3-methylthiomorpholin-4-yl)-2-sulfanylbutan-1-one
CID 107030389
2-amino-3-methoxy-1-(1,4-thiazepan-4-yl)propan-1-one;hydrochloride
CID 120986257
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl)-2-amino-3-methoxypropan-1-one;hydrochloride
CID 120992044
N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide
CID 104886403
3-amino-2-methyl-1-(3-methylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119785840
N-ethoxy-3-methylthiomorpholine-4-carboxamide
CID 130629111
4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid
CID 107570416
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone
CID 115290754
1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
CID 81081543
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one (CID 81088355) is 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one is COCC(N)C(=O)N1CCSCC1C.
What is the InChIKey of 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one?
The InChIKey is SRYZOLWATQUEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7-6-14-4-3-11(7)9(12)8(10)5-13-2/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one?
2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one has a molecular weight of 218.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one is sourced from PubChem (CID 81088355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).