3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine

C10H23N3O3S — CID 55010022

IUPAC3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine
SMILESCOCCS(=O)(=O)N1CCN(CCCN)CC1
InChIInChI=1S/C10H23N3O3S/c1-16-9-10-17(14,15)13-7-5-12(6-8-13)4-2-3-11/h2-11H2,1H3
InChIKeyITCHZMQGNGPIRF-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.07
Rot. Bonds7

About 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine

3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine (PubChem CID 55010022) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine
PubChem CID55010022
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine
SMILESCOCCS(=O)(=O)N1CCN(CCCN)CC1
InChIInChI=1S/C10H23N3O3S/c1-16-9-10-17(14,15)13-7-5-12(6-8-13)4-2-3-11/h2-11H2,1H3
InChIKeyITCHZMQGNGPIRF-UHFFFAOYSA-N
XLogP-1.07
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine (CID 55010022) is 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine is COCCS(=O)(=O)N1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine?
The InChIKey is ITCHZMQGNGPIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-16-9-10-17(14,15)13-7-5-12(6-8-13)4-2-3-11/h2-11H2,1H3.
What are the key properties of 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine?
3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine has a molecular weight of 265.38 g/mol, XLogP of -1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 55010022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).