morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride

C12H23ClN2O2S — CID 119817077

IUPACmorpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCC(C)C1CN(C(=O)C2CNCCO2)CCS1.Cl
InChIInChI=1S/C12H22N2O2S.ClH/c1-9(2)11-8-14(4-6-17-11)12(15)10-7-13-3-5-16-10;/h9-11,13H,3-8H2,1-2H3;1H
InChIKeyFCVVZKDRTKFUAA-UHFFFAOYSA-N
MW294.85 g/mol
LogP1.00
Rot. Bonds2

About morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride

morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride (PubChem CID 119817077) has the molecular formula C12H23ClN2O2S and a molecular weight of 294.85 g/mol. Its IUPAC name is morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Namemorpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride
PubChem CID119817077
Molecular FormulaC12H23ClN2O2S
Molecular Weight294.85 g/mol
Exact Mass294.12
IUPAC Namemorpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCC(C)C1CN(C(=O)C2CNCCO2)CCS1.Cl
InChIInChI=1S/C12H22N2O2S.ClH/c1-9(2)11-8-14(4-6-17-11)12(15)10-7-13-3-5-16-10;/h9-11,13H,3-8H2,1-2H3;1H
InChIKeyFCVVZKDRTKFUAA-UHFFFAOYSA-N
XLogP1.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride (CID 119817077) is morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride is CC(C)C1CN(C(=O)C2CNCCO2)CCS1.Cl.
What is the InChIKey of morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride?
The InChIKey is FCVVZKDRTKFUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S.ClH/c1-9(2)11-8-14(4-6-17-11)12(15)10-7-13-3-5-16-10;/h9-11,13H,3-8H2,1-2H3;1H.
What are the key properties of morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride?
morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride has a molecular weight of 294.85 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119817077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).