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

C10H23N3O3S — CID 54972317

IUPACN-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide
SMILESCOCCCNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C10H23N3O3S/c1-16-9-2-3-12-17(14,15)10-8-13-6-4-11-5-7-13/h11-12H,2-10H2,1H3
InChIKeyCKEIPOBNRDQYBZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.15
Rot. Bonds8

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

N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 54972317) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide
PubChem CID54972317
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide
SMILESCOCCCNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C10H23N3O3S/c1-16-9-2-3-12-17(14,15)10-8-13-6-4-11-5-7-13/h11-12H,2-10H2,1H3
InChIKeyCKEIPOBNRDQYBZ-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'}

Analyze N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide 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 N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide (CID 54972317) is N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide is COCCCNS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is CKEIPOBNRDQYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-16-9-2-3-12-17(14,15)10-8-13-6-4-11-5-7-13/h11-12H,2-10H2,1H3.
What are the key properties of N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide?
N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide 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 N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 54972317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).