1-piperidin-1-yl-2-thiomorpholin-3-ylethanone

C11H20N2OS — CID 66423001

IUPAC1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCCCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-5-2-1-3-6-13)8-10-9-15-7-4-12-10/h10,12H,1-9H2
InChIKeySLCKWHJGPIDCBW-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.09
Rot. Bonds2

About 1-piperidin-1-yl-2-thiomorpholin-3-ylethanone

1-piperidin-1-yl-2-thiomorpholin-3-ylethanone (PubChem CID 66423001) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
PubChem CID66423001
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCCCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-5-2-1-3-6-13)8-10-9-15-7-4-12-10/h10,12H,1-9H2
InChIKeySLCKWHJGPIDCBW-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66422097
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421814
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422913
N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide
CID 119936804
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-piperidin-1-yl-2-thiomorpholin-3-ylethanone (CID 66423001) is 1-piperidin-1-yl-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-piperidin-1-yl-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-thiomorpholin-3-ylethanone?
The InChIKey is SLCKWHJGPIDCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c14-11(13-5-2-1-3-6-13)8-10-9-15-7-4-12-10/h10,12H,1-9H2.
What are the key properties of 1-piperidin-1-yl-2-thiomorpholin-3-ylethanone?
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone has a molecular weight of 228.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 66423001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).