1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride

C15H29Cl2N3OS — CID 119941029

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H27N3OS.2ClH/c19-15(11-13-12-20-10-5-16-13)18-8-6-17(7-9-18)14-3-1-2-4-14;;/h13-14,16H,1-12H2;2*1H
InChIKeyXKZYBOUFTSVWRC-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.01
Rot. Bonds3

About 1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride

1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride (PubChem CID 119941029) has the molecular formula C15H29Cl2N3OS and a molecular weight of 370.39 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
PubChem CID119941029
Molecular FormulaC15H29Cl2N3OS
Molecular Weight370.39 g/mol
Exact Mass369.14
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H27N3OS.2ClH/c19-15(11-13-12-20-10-5-16-13)18-8-6-17(7-9-18)14-3-1-2-4-14;;/h13-14,16H,1-12H2;2*1H
InChIKeyXKZYBOUFTSVWRC-UHFFFAOYSA-N
XLogP2.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-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-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66422097
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389
3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine
CID 82918140
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride (CID 119941029) is 1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride?
The InChIKey is XKZYBOUFTSVWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS.2ClH/c19-15(11-13-12-20-10-5-16-13)18-8-6-17(7-9-18)14-3-1-2-4-14;;/h13-14,16H,1-12H2;2*1H.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride?
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride has a molecular weight of 370.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride is sourced from PubChem (CID 119941029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).