4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride

C14H20ClN3O2S2 — CID 119939774

IUPAC4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
SMILESCl.O=C1NCCN(C(=O)CC2CSCCN2)C1c1cccs1
InChIInChI=1S/C14H19N3O2S2.ClH/c18-12(8-10-9-20-7-4-15-10)17-5-3-16-14(19)13(17)11-2-1-6-21-11;/h1-2,6,10,13,15H,3-5,7-9H2,(H,16,19);1H
InChIKeyGQEFSFCIKZIMAL-UHFFFAOYSA-N
MW361.92 g/mol
LogP1.26
Rot. Bonds3

About 4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride

4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride (PubChem CID 119939774) has the molecular formula C14H20ClN3O2S2 and a molecular weight of 361.92 g/mol. Its IUPAC name is 4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
PubChem CID119939774
Molecular FormulaC14H20ClN3O2S2
Molecular Weight361.92 g/mol
Exact Mass361.07
IUPAC Name4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
SMILESCl.O=C1NCCN(C(=O)CC2CSCCN2)C1c1cccs1
InChIInChI=1S/C14H19N3O2S2.ClH/c18-12(8-10-9-20-7-4-15-10)17-5-3-16-14(19)13(17)11-2-1-6-21-11;/h1-2,6,10,13,15H,3-5,7-9H2,(H,16,19);1H
InChIKeyGQEFSFCIKZIMAL-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one
CID 66421309
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
(3R)-4-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 100641562
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
4-[4-(methylamino)butanoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119801478
7-phenyl-1-(2-thiomorpholin-3-ylacetyl)-1,4-diazepan-5-one;hydrochloride
CID 119937231
4-[4-(aminomethyl)benzoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119333806
4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 119333805
trans-(1R,2R)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129466992
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934886
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937115
4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119801482

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride (CID 119939774) is 4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride is Cl.O=C1NCCN(C(=O)CC2CSCCN2)C1c1cccs1.
What is the InChIKey of 4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
The InChIKey is GQEFSFCIKZIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2.ClH/c18-12(8-10-9-20-7-4-15-10)17-5-3-16-14(19)13(17)11-2-1-6-21-11;/h1-2,6,10,13,15H,3-5,7-9H2,(H,16,19);1H.
What are the key properties of 4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride has a molecular weight of 361.92 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 119939774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).