1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride

C13H25ClN2OS — CID 119938341

IUPAC1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
SMILESCC1CCCN(C(=O)CC2CSCCN2)C1C.Cl
InChIInChI=1S/C13H24N2OS.ClH/c1-10-4-3-6-15(11(10)2)13(16)8-12-9-17-7-5-14-12;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyIERINQANQPUXNX-UHFFFAOYSA-N
MW292.88 g/mol
LogP2.15
Rot. Bonds2

About 1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride

1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride (PubChem CID 119938341) has the molecular formula C13H25ClN2OS and a molecular weight of 292.88 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
PubChem CID119938341
Molecular FormulaC13H25ClN2OS
Molecular Weight292.88 g/mol
Exact Mass292.14
IUPAC Name1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
SMILESCC1CCCN(C(=O)CC2CSCCN2)C1C.Cl
InChIInChI=1S/C13H24N2OS.ClH/c1-10-4-3-6-15(11(10)2)13(16)8-12-9-17-7-5-14-12;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyIERINQANQPUXNX-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

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Related Compounds

1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858
1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119936904
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-(2-methyl-3-phenylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119940002
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66420023
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119936744
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one
CID 66421309
6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119936929
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119935933

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride (CID 119938341) is 1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride is CC1CCCN(C(=O)CC2CSCCN2)C1C.Cl.
What is the InChIKey of 1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The InChIKey is IERINQANQPUXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS.ClH/c1-10-4-3-6-15(11(10)2)13(16)8-12-9-17-7-5-14-12;/h10-12,14H,3-9H2,1-2H3;1H.
What are the key properties of 1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-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-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride is sourced from PubChem (CID 119938341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).