1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone

C13H24N2O2S — CID 66422101

IUPAC1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESCOCC1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C13H24N2O2S/c1-17-9-11-2-5-15(6-3-11)13(16)8-12-10-18-7-4-14-12/h11-12,14H,2-10H2,1H3
InChIKeyVTERTUXHRPCRDF-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.97
Rot. Bonds4

About 1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone

1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone (PubChem CID 66422101) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
PubChem CID66422101
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESCOCC1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C13H24N2O2S/c1-17-9-11-2-5-15(6-3-11)13(16)8-12-10-18-7-4-14-12/h11-12,14H,2-10H2,1H3
InChIKeyVTERTUXHRPCRDF-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
CID 66422654
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119939216
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 64597887
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone (CID 66422101) is 1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone is COCC1CCN(C(=O)CC2CSCCN2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The InChIKey is VTERTUXHRPCRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-17-9-11-2-5-15(6-3-11)13(16)8-12-10-18-7-4-14-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone has a molecular weight of 272.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 66422101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).