morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone

C12H22N2O2S — CID 119817036

IUPACmorpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
SMILESCC(C)C1CN(C(=O)C2COCCN2)CCS1
InChIInChI=1S/C12H22N2O2S/c1-9(2)11-7-14(4-6-17-11)12(15)10-8-16-5-3-13-10/h9-11,13H,3-8H2,1-2H3
InChIKeyNKLXYLKYBPYRJM-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.57
Rot. Bonds2

About morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone

morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone (PubChem CID 119817036) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Namemorpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
PubChem CID119817036
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Namemorpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
SMILESCC(C)C1CN(C(=O)C2COCCN2)CCS1
InChIInChI=1S/C12H22N2O2S/c1-9(2)11-7-14(4-6-17-11)12(15)10-8-16-5-3-13-10/h9-11,13H,3-8H2,1-2H3
InChIKeyNKLXYLKYBPYRJM-UHFFFAOYSA-N
XLogP0.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride
CID 119817077
piperidin-4-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
CID 119342685
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
CID 119880159
4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one
CID 71918517
morpholin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370424
morpholin-3-yl-(2-thiophen-2-ylmorpholin-4-yl)methanone
CID 119757293
3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone
CID 114196397
morpholin-3-yl-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757292

Frequently Asked Questions

What is the IUPAC name of morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone?
The IUPAC name of morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone (CID 119817036) is morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone.
What is the SMILES notation for morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone?
The canonical SMILES for morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone is CC(C)C1CN(C(=O)C2COCCN2)CCS1.
What is the InChIKey of morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone?
The InChIKey is NKLXYLKYBPYRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-9(2)11-7-14(4-6-17-11)12(15)10-8-16-5-3-13-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone?
morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone has a molecular weight of 258.39 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 119817036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).