4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide

C10H21N3OS — CID 3191985

IUPAC4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide
SMILESCCN1CCN(C(=S)NCCOC)CC1
InChIInChI=1S/C10H21N3OS/c1-3-12-5-7-13(8-6-12)10(15)11-4-9-14-2/h3-9H2,1-2H3,(H,11,15)
InChIKeyWJDURXPWSMOTFA-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.14
Rot. Bonds4

About 4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide

4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide (PubChem CID 3191985) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide
PubChem CID3191985
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide
SMILESCCN1CCN(C(=S)NCCOC)CC1
InChIInChI=1S/C10H21N3OS/c1-3-12-5-7-13(8-6-12)10(15)11-4-9-14-2/h3-9H2,1-2H3,(H,11,15)
InChIKeyWJDURXPWSMOTFA-UHFFFAOYSA-N
XLogP0.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carbothioamide
CID 115579030
N-(2-methoxyethyl)-1,4-thiazepane-4-carbothioamide
CID 115587666
4-(cyclopropylmethyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide
CID 115587768
4-[(dimethylamino)methyl]-N-(2-methoxyethyl)piperidine-1-carbothioamide
CID 113224046
4-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 2170942
4-(2-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 8626829
4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide
CID 115587885
N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide
CID 9214697
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 8500150
N-(2-methoxyethyl)-1,3-dihydroisoindole-2-carbothioamide
CID 115616217
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 19291616
4-(4-tert-butylphenyl)sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 8677531

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide?
The IUPAC name of 4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide (CID 3191985) is 4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide?
The canonical SMILES for 4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide is CCN1CCN(C(=S)NCCOC)CC1.
What is the InChIKey of 4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide?
The InChIKey is WJDURXPWSMOTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-3-12-5-7-13(8-6-12)10(15)11-4-9-14-2/h3-9H2,1-2H3,(H,11,15).
What are the key properties of 4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide?
4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide has a molecular weight of 231.36 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide is sourced from PubChem (CID 3191985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).