2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide

C10H23N3O3S — CID 55009687

IUPAC2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)NCCCN1CCNCC1
InChIInChI=1S/C10H23N3O3S/c1-16-9-10-17(14,15)12-3-2-6-13-7-4-11-5-8-13/h11-12H,2-10H2,1H3
InChIKeyKADIZNMUWWNVHT-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.15
Rot. Bonds8

About 2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide

2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide (PubChem CID 55009687) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide
PubChem CID55009687
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)NCCCN1CCNCC1
InChIInChI=1S/C10H23N3O3S/c1-16-9-10-17(14,15)12-3-2-6-13-7-4-11-5-8-13/h11-12H,2-10H2,1H3
InChIKeyKADIZNMUWWNVHT-UHFFFAOYSA-N
XLogP-1.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
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-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide (CID 55009687) is 2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide is COCCS(=O)(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide?
The InChIKey is KADIZNMUWWNVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-16-9-10-17(14,15)12-3-2-6-13-7-4-11-5-8-13/h11-12H,2-10H2,1H3.
What are the key properties of 2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide?
2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide has a molecular weight of 265.38 g/mol, XLogP of -1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-piperazin-1-ylpropyl)ethanesulfonamide is sourced from PubChem (CID 55009687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).