N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide

C11H25N3O3S — CID 54973653

IUPACN-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide
SMILESCCOCCCNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H25N3O3S/c1-2-17-10-3-4-13-18(15,16)11-9-14-7-5-12-6-8-14/h12-13H,2-11H2,1H3
InChIKeyQFJNTXAWCXVFOW-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.76
Rot. Bonds9

About N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide

N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 54973653) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide
PubChem CID54973653
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide
SMILESCCOCCCNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H25N3O3S/c1-2-17-10-3-4-13-18(15,16)11-9-14-7-5-12-6-8-14/h12-13H,2-11H2,1H3
InChIKeyQFJNTXAWCXVFOW-UHFFFAOYSA-N
XLogP-0.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.76
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 N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide (CID 54973653) is N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide is CCOCCCNS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is QFJNTXAWCXVFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-2-17-10-3-4-13-18(15,16)11-9-14-7-5-12-6-8-14/h12-13H,2-11H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide?
N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 54973653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).