2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide

C10H21N3O3S2 — CID 55201568

IUPAC2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide
SMILESCCOCCS(=O)(=O)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C10H21N3O3S2/c1-2-16-7-8-18(14,15)13-5-3-12(4-6-13)9-10(11)17/h2-9H2,1H3,(H2,11,17)
InChIKeyRFIXHKIBPGPWMZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP-0.74
Rot. Bonds7

About 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide

2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide (PubChem CID 55201568) has the molecular formula C10H21N3O3S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide
PubChem CID55201568
Molecular FormulaC10H21N3O3S2
Molecular Weight295.43 g/mol
Exact Mass295.10
IUPAC Name2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide
SMILESCCOCCS(=O)(=O)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C10H21N3O3S2/c1-2-16-7-8-18(14,15)13-5-3-12(4-6-13)9-10(11)17/h2-9H2,1H3,(H2,11,17)
InChIKeyRFIXHKIBPGPWMZ-UHFFFAOYSA-N
XLogP-0.74
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide 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-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 19685555
N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
CID 58603346
N-(2-morpholin-4-ylethyl)propane-1-sulfonamide
CID 60642017
1-(2-Methoxyethylsulfonyl)-4-methylpiperazine
CID 61694050
N-[3-[3-(4-methylpiperazin-1-yl)sulfonylbutoxy]propyl]propane-2-sulfonamide
CID 130288007
2-amino-N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 16782567
N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide
CID 54972131
N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide
CID 54972317
2-(ethylamino)-N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 54973649
N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide
CID 54973653
3-[4-(2-Methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 55010022
4-[4-(2-Methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 55010068

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide?
The IUPAC name of 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide (CID 55201568) is 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide?
The canonical SMILES for 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide is CCOCCS(=O)(=O)N1CCN(CC(N)=S)CC1.
What is the InChIKey of 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide?
The InChIKey is RFIXHKIBPGPWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S2/c1-2-16-7-8-18(14,15)13-5-3-12(4-6-13)9-10(11)17/h2-9H2,1H3,(H2,11,17).
What are the key properties of 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide?
2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide has a molecular weight of 295.43 g/mol, XLogP of -0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide is sourced from PubChem (CID 55201568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).