![CAS 1810074-78-2 N-methyl-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1810074-78-2.gif)
CAS RN: 1810074-78-2
N-methyl-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide hydrochloride
- Product code: SSC-082328
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 1 In Stock | Beijing | Inquiry |
| 5g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >97% | 0 Out of Stock | Shanghai | Inquiry |
1810074-78-2 / N-methyl-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride
Basic Information
CAS
1810074-78-2
Multi CAS
No
Molecular Formula
C6H15ClN2O2S
Molecular Weight
214.710000
Exact Mass
214.054277
SMILES
CN([C@H]1CCNC1)S(=O)(=O)C.Cl
InChI
InChI=1S/C6H14N2O2S.ClH/c1-8(11(2,9)10)6-3-4-7-5-6;/h6-7H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKey
YQECDOZPXSNTCY-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.13
TPSA
49.41
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.3
XLogP3
-0.34
Consensus LogP
-0.33
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
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)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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