CAS RN: 1042643-73-1
1-Piperazinesulfonamide, N-ethyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251221 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1042643-73-1
- Purity/Analytical Methods: >99.0%
1042643-73-1 / N-ethylpiperazine-1-sulfonamide
N-ethylpiperazine-1-sulfonamide | N-Ethyl-1-piperazinesulfonamide | SCHEMBL25541434
Basic Information
CAS
1042643-73-1
Multi CAS
No
Molecular Formula
C6H15N3O2S
Molecular Weight
193.270000
Exact Mass
193.088498
SMILES
CCNS(=O)(=O)N1CCNCC1
InChI
InChI=1S/C6H15N3O2S/c1-2-8-12(10,11)9-5-3-7-4-6-9/h7-8H,2-6H2,1H3
InChIKey
RXHLCOUMVREAGG-UHFFFAOYSA-N
Synonyms
N-ethylpiperazine-1-sulfonamide
N-Ethyl-1-piperazinesulfonamide
SCHEMBL25541434
MFCD11169479
BS-46165
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.04
TPSA
61.44
LogP / Solubility
WLOGP
-1.25
MLOGP
-1.1
XLogP3
-1
Consensus LogP
-1.12
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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