1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone

C15H27N3O2S — CID 119942490

IUPAC1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C15H27N3O2S/c19-15(9-14-12-21-8-2-16-14)18-5-3-17(4-6-18)10-13-1-7-20-11-13/h13-14,16H,1-12H2
InChIKeyMKOSXRYIAKLCIP-UHFFFAOYSA-N
MW313.47 g/mol
LogP0.26
Rot. Bonds4

About 1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone

1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone (PubChem CID 119942490) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
PubChem CID119942490
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C15H27N3O2S/c19-15(9-14-12-21-8-2-16-14)18-5-3-17(4-6-18)10-13-1-7-20-11-13/h13-14,16H,1-12H2
InChIKeyMKOSXRYIAKLCIP-UHFFFAOYSA-N
XLogP0.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(oxan-4-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942338
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
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-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101
morpholin-3-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 119897502
1-(3,4-dimethylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421505
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone (CID 119942490) is 1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)N1CCN(CC2CCOC2)CC1.
What is the InChIKey of 1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The InChIKey is MKOSXRYIAKLCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c19-15(9-14-12-21-8-2-16-14)18-5-3-17(4-6-18)10-13-1-7-20-11-13/h13-14,16H,1-12H2.
What are the key properties of 1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone has a molecular weight of 313.47 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 119942490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).