1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone

C15H27N3OS — CID 66422097

IUPAC1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H27N3OS/c19-15(10-13-12-20-9-5-16-13)18-8-4-14(11-18)17-6-2-1-3-7-17/h13-14,16H,1-12H2
InChIKeyRLTOCYBGHQMLIT-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.17
Rot. Bonds3

About 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone

1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 66422097) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
PubChem CID66422097
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H27N3OS/c19-15(10-13-12-20-9-5-16-13)18-8-4-14(11-18)17-6-2-1-3-7-17/h13-14,16H,1-12H2
InChIKeyRLTOCYBGHQMLIT-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421814
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-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389
1-[3-(diethylamino)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941033
1-[4-(oxan-4-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942338
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone (CID 66422097) is 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is RLTOCYBGHQMLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c19-15(10-13-12-20-9-5-16-13)18-8-4-14(11-18)17-6-2-1-3-7-17/h13-14,16H,1-12H2.
What are the key properties of 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone?
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 297.47 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 66422097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).