N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C11H22F3N3O3S — CID 61252542

IUPACN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H22F3N3O3S/c1-2-20-9-3-6-17(10-11(12,13)14)21(18,19)16-7-4-15-5-8-16/h15H,2-10H2,1H3
InChIKeyRODJQVICPGCKBQ-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.43
Rot. Bonds8

About N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 61252542) has the molecular formula C11H22F3N3O3S and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID61252542
Molecular FormulaC11H22F3N3O3S
Molecular Weight333.38 g/mol
Exact Mass333.13
IUPAC NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H22F3N3O3S/c1-2-20-9-3-6-17(10-11(12,13)14)21(18,19)16-7-4-15-5-8-16/h15H,2-10H2,1H3
InChIKeyRODJQVICPGCKBQ-UHFFFAOYSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 61252542) is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CCOCCCN(CC(F)(F)F)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is RODJQVICPGCKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O3S/c1-2-20-9-3-6-17(10-11(12,13)14)21(18,19)16-7-4-15-5-8-16/h15H,2-10H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 333.38 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61252542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).