(2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone

C12H22N2OS — CID 82917114

IUPAC(2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1CCC(C)N(C(=O)C2CSCCN2)C1
InChIInChI=1S/C12H22N2OS/c1-9-3-4-10(2)14(7-9)12(15)11-8-16-6-5-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyFSPPFAVHCZXWOQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.34
Rot. Bonds1

About (2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone

(2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone (PubChem CID 82917114) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
PubChem CID82917114
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1CCC(C)N(C(=O)C2CSCCN2)C1
InChIInChI=1S/C12H22N2OS/c1-9-3-4-10(2)14(7-9)12(15)11-8-16-6-5-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyFSPPFAVHCZXWOQ-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104914142
(2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 104914141
(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone
CID 82916755
(2,5-dimethylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114429194
(2,5-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908906
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 82908311
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(thiomorpholin-3-yl)methanone
CID 82916769
cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone
CID 145040393
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
CID 82908167
1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838
3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550866

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone (CID 82917114) is (2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone is CC1CCC(C)N(C(=O)C2CSCCN2)C1.
What is the InChIKey of (2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
The InChIKey is FSPPFAVHCZXWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-3-4-10(2)14(7-9)12(15)11-8-16-6-5-13-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
(2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone has a molecular weight of 242.39 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 82917114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).