1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone

C11H21NO2S — CID 115634381

IUPAC1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCSC(C)C1C
InChIInChI=1S/C11H21NO2S/c1-8(2)14-7-11(13)12-5-6-15-10(4)9(12)3/h8-10H,5-7H2,1-4H3
InChIKeyUGVLOVQYURZJKK-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.76
Rot. Bonds3

About 1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone

1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone (PubChem CID 115634381) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone
PubChem CID115634381
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCSC(C)C1C
InChIInChI=1S/C11H21NO2S/c1-8(2)14-7-11(13)12-5-6-15-10(4)9(12)3/h8-10H,5-7H2,1-4H3
InChIKeyUGVLOVQYURZJKK-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone
CID 115634385
(2S)-2-amino-N-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]-3-methylbutanamide
CID 103885015
3-(2,3-dimethylthiomorpholin-4-yl)-3-oxopropanenitrile
CID 104696946
2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one
CID 115734514
1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone
CID 115740145
1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one
CID 115740155
(3S)-3-(aminomethyl)-1-(2,3-dimethylthiomorpholin-4-yl)-5-methylhexan-1-one
CID 104874517
3-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-oxopropanoic acid
CID 114899062
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide
CID 115634669
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
ethyl 4-(2-propan-2-yloxyacetyl)thiomorpholine-3-carboxylate
CID 112686997

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone (CID 115634381) is 1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCSC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone?
The InChIKey is UGVLOVQYURZJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-8(2)14-7-11(13)12-5-6-15-10(4)9(12)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone?
1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone has a molecular weight of 231.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 115634381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).