About 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine
3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine (PubChem CID 119968280) has the molecular formula C11H23N3O2S
and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine.
Molecular Properties
| Compound Name | 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine |
| PubChem CID | 119968280 |
| Molecular Formula | C11H23N3O2S |
| Molecular Weight | 261.39 g/mol |
| Exact Mass | 261.15 |
| IUPAC Name | 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine |
| SMILES | CN(CC1CC1)S(=O)(=O)NCC1CCCNC1 |
| InChI | InChI=1S/C11H23N3O2S/c1-14(9-10-4-5-10)17(15,16)13-8-11-3-2-6-12-7-11/h10-13H,2-9H2,1H3 |
| InChIKey | WNTSMKJGWDJKSR-UHFFFAOYSA-N |
| XLogP | 0.16 |
| TPSA | 61.44 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 261.39 |
| LogP ≤ 5 | 0.16 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine?
The IUPAC name of 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine (CID 119968280) is 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine.
What is the SMILES notation for 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine?
The canonical SMILES for 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine is CN(CC1CC1)S(=O)(=O)NCC1CCCNC1.
What is the InChIKey of 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine?
The InChIKey is WNTSMKJGWDJKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-14(9-10-4-5-10)17(15,16)13-8-11-3-2-6-12-7-11/h10-13H,2-9H2,1H3.
What are the key properties of 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine?
3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine has a molecular weight of 261.39 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine is sourced from PubChem (CID 119968280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).