N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride

C14H28Cl2N4O2S — CID 119941053

IUPACN-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)CC2CSCCN2)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O2S.2ClH/c1-2-15-13(19)10-17-4-6-18(7-5-17)14(20)9-12-11-21-8-3-16-12;;/h12,16H,2-11H2,1H3,(H,15,19);2*1H
InChIKeyFOCBXFZWNJDUKH-UHFFFAOYSA-N
MW387.38 g/mol
LogP0.21
Rot. Bonds5

About N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride

N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119941053) has the molecular formula C14H28Cl2N4O2S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119941053
Molecular FormulaC14H28Cl2N4O2S
Molecular Weight387.38 g/mol
Exact Mass386.13
IUPAC NameN-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)CC2CSCCN2)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O2S.2ClH/c1-2-15-13(19)10-17-4-6-18(7-5-17)14(20)9-12-11-21-8-3-16-12;;/h12,16H,2-11H2,1H3,(H,15,19);2*1H
InChIKeyFOCBXFZWNJDUKH-UHFFFAOYSA-N
XLogP0.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119844022
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936002
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
CID 119941212
N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936798
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936671
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride (CID 119941053) is N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride is CCNC(=O)CN1CCN(C(=O)CC2CSCCN2)CC1.Cl.Cl.
What is the InChIKey of N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is FOCBXFZWNJDUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S.2ClH/c1-2-15-13(19)10-17-4-6-18(7-5-17)14(20)9-12-11-21-8-3-16-12;;/h12,16H,2-11H2,1H3,(H,15,19);2*1H.
What are the key properties of N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 387.38 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119941053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).