CAS RN: 1946010-89-4
(3S)-3-methanesulfonylpiperidine hydrochloride
- Product code: SSC-091801
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1946010-89-4 / (3S)-3-methylsulfonylpiperidine;hydrochloride
Basic Information
CAS
1946010-89-4
Multi CAS
No
Molecular Formula
C6H14ClNO2S
Molecular Weight
199.700000
Exact Mass
199.043378
SMILES
CS(=O)(=O)[C@H]1CCCNC1.Cl
InChI
InChI=1S/C6H13NO2S.ClH/c1-10(8,9)6-3-2-4-7-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKey
MRLKRLRBGARQIK-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.98
TPSA
46.17
LogP / Solubility
WLOGP
0.2
MLOGP
0.18
XLogP3
0.2
Consensus LogP
0.19
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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