1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone

C10H20N2OS — CID 115740145

IUPAC1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1CCSC(C)C1C
InChIInChI=1S/C10H20N2OS/c1-4-11-7-10(13)12-5-6-14-9(3)8(12)2/h8-9,11H,4-7H2,1-3H3
InChIKeyVGIKFZCLRWATNX-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.95
Rot. Bonds3

About 1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone

1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone (PubChem CID 115740145) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone
PubChem CID115740145
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1CCSC(C)C1C
InChIInChI=1S/C10H20N2OS/c1-4-11-7-10(13)12-5-6-14-9(3)8(12)2/h8-9,11H,4-7H2,1-3H3
InChIKeyVGIKFZCLRWATNX-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone
CID 115634385
N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide
CID 115634669
3-(2,3-dimethylthiomorpholin-4-yl)-3-oxopropanenitrile
CID 104696946
2,3-dimethyl-N-propylthiomorpholine-4-carboxamide
CID 115635226
1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone
CID 115634381
1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119791732
1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one
CID 115740155
1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone
CID 103814597
(3S)-3-(aminomethyl)-1-(2,3-dimethylthiomorpholin-4-yl)-5-methylhexan-1-one
CID 104874517
2-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]benzoic acid
CID 115923806
2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one
CID 115734514
cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 71930717

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone (CID 115740145) is 1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone is CCNCC(=O)N1CCSC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone?
The InChIKey is VGIKFZCLRWATNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-4-11-7-10(13)12-5-6-14-9(3)8(12)2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone?
1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone has a molecular weight of 216.35 g/mol, XLogP of 0.95, 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-(ethylamino)ethanone is sourced from PubChem (CID 115740145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).