1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride

C13H25ClN2OS — CID 119791856

IUPAC1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride
SMILESCC1(C)CN(C(=O)CC2CCNCC2)CCS1.Cl
InChIInChI=1S/C13H24N2OS.ClH/c1-13(2)10-15(7-8-17-13)12(16)9-11-3-5-14-6-4-11;/h11,14H,3-10H2,1-2H3;1H
InChIKeyAWWALZKSNYYGIX-UHFFFAOYSA-N
MW292.88 g/mol
LogP2.15
Rot. Bonds2

About 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride

1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride (PubChem CID 119791856) has the molecular formula C13H25ClN2OS and a molecular weight of 292.88 g/mol. Its IUPAC name is 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride
PubChem CID119791856
Molecular FormulaC13H25ClN2OS
Molecular Weight292.88 g/mol
Exact Mass292.14
IUPAC Name1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride
SMILESCC1(C)CN(C(=O)CC2CCNCC2)CCS1.Cl
InChIInChI=1S/C13H24N2OS.ClH/c1-13(2)10-15(7-8-17-13)12(16)9-11-3-5-14-6-4-11;/h11,14H,3-10H2,1-2H3;1H
InChIKeyAWWALZKSNYYGIX-UHFFFAOYSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.88
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride 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

(2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone
CID 115740257
1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119762687
1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride
CID 119791850
4-(2,2-dimethylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 115910476
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
CID 103810262
4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride
CID 119328228
(2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119791841
3-ethyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145224
(2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119791834
2-cyclopropyl-1-(1,2,5-dithiazepan-5-yl)ethanone
CID 130723803
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride?
The IUPAC name of 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride (CID 119791856) is 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride?
The canonical SMILES for 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride is CC1(C)CN(C(=O)CC2CCNCC2)CCS1.Cl.
What is the InChIKey of 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride?
The InChIKey is AWWALZKSNYYGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS.ClH/c1-13(2)10-15(7-8-17-13)12(16)9-11-3-5-14-6-4-11;/h11,14H,3-10H2,1-2H3;1H.
What are the key properties of 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride?
1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride has a molecular weight of 292.88 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride is sourced from PubChem (CID 119791856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).