2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine

C10H23N3O3S — CID 63289793

IUPAC2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine
SMILESCOCCCS(=O)(=O)N1CCN(CCN)CC1
InChIInChI=1S/C10H23N3O3S/c1-16-9-2-10-17(14,15)13-7-5-12(4-3-11)6-8-13/h2-11H2,1H3
InChIKeyHKFUDKRWXKNSBG-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.07
Rot. Bonds7

About 2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine

2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine (PubChem CID 63289793) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine
PubChem CID63289793
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine
SMILESCOCCCS(=O)(=O)N1CCN(CCN)CC1
InChIInChI=1S/C10H23N3O3S/c1-16-9-2-10-17(14,15)13-7-5-12(4-3-11)6-8-13/h2-11H2,1H3
InChIKeyHKFUDKRWXKNSBG-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine (CID 63289793) is 2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine is COCCCS(=O)(=O)N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine?
The InChIKey is HKFUDKRWXKNSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-16-9-2-10-17(14,15)13-7-5-12(4-3-11)6-8-13/h2-11H2,1H3.
What are the key properties of 2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine?
2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine 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 2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 63289793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).