1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one

C11H22N2OS — CID 115740155

IUPAC1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCSC(C)C1C
InChIInChI=1S/C11H22N2OS/c1-8(7-12-4)11(14)13-5-6-15-10(3)9(13)2/h8-10,12H,5-7H2,1-4H3
InChIKeyWNGPBQTUPDGVLB-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.19
Rot. Bonds3

About 1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one

1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 115740155) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID115740155
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCSC(C)C1C
InChIInChI=1S/C11H22N2OS/c1-8(7-12-4)11(14)13-5-6-15-10(3)9(13)2/h8-10,12H,5-7H2,1-4H3
InChIKeyWNGPBQTUPDGVLB-UHFFFAOYSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one
CID 115734514
3-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-oxopropanoic acid
CID 114899062
2,3-dimethyl-N-propylthiomorpholine-4-carboxamide
CID 115635226
N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide
CID 115634669
1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone
CID 115634381
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742
3-(2,3-dimethylthiomorpholin-4-yl)-3-oxopropanenitrile
CID 104696946
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159
1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone
CID 115740145
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 103811877
(2S)-2-amino-N-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]-3-methylbutanamide
CID 103885015

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one (CID 115740155) is 1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)N1CCSC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is WNGPBQTUPDGVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8(7-12-4)11(14)13-5-6-15-10(3)9(13)2/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 230.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 115740155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).