4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide

C11H22N4OS — CID 79161963

IUPAC4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C11H22N4OS/c1-3-14(4-2)11(16)15-7-5-13(6-8-15)9-10(12)17/h3-9H2,1-2H3,(H2,12,17)
InChIKeyHELLUFVXXUEQBV-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.35
Rot. Bonds4

About 4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide

4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 79161963) has the molecular formula C11H22N4OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID79161963
Molecular FormulaC11H22N4OS
Molecular Weight258.39 g/mol
Exact Mass258.15
IUPAC Name4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C11H22N4OS/c1-3-14(4-2)11(16)15-7-5-13(6-8-15)9-10(12)17/h3-9H2,1-2H3,(H2,12,17)
InChIKeyHELLUFVXXUEQBV-UHFFFAOYSA-N
XLogP0.35
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazin-1-yl)ethanethioamide
CID 24705741
2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 103103574
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153561
4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 47028760
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63336169
2-[4-(2-propylpentanoyl)piperazin-1-yl]ethanethioamide
CID 82984936
4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 79162161
4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 110358821
4-(2-chloro-2-cyanoethyl)-N,N-diethylpiperazine-1-carboxamide
CID 110190553
2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide
CID 63336059
4-ethyl-N,N-dipropylpiperazine-1-carboxamide
CID 108988508

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide (CID 79161963) is 4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(CC(N)=S)CC1.
What is the InChIKey of 4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is HELLUFVXXUEQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS/c1-3-14(4-2)11(16)15-7-5-13(6-8-15)9-10(12)17/h3-9H2,1-2H3,(H2,12,17).
What are the key properties of 4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide?
4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 258.39 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 79161963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).