3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide

C14H29IN2O2S — CID 89032158

IUPAC3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide
SMILESCN(CCCS(=O)(=O)I)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H29IN2O2S/c1-13(2)10-12(11-14(3,4)17(13)6)16(5)8-7-9-20(15,18)19/h12H,7-11H2,1-6H3
InChIKeyAENVRXBJVBPOPF-UHFFFAOYSA-N
MW416.37 g/mol
LogP2.72
Rot. Bonds5

About 3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide

3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide (PubChem CID 89032158) has the molecular formula C14H29IN2O2S and a molecular weight of 416.37 g/mol. Its IUPAC name is 3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide.

Molecular Properties

Compound Name3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide
PubChem CID89032158
Molecular FormulaC14H29IN2O2S
Molecular Weight416.37 g/mol
Exact Mass416.10
IUPAC Name3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide
SMILESCN(CCCS(=O)(=O)I)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H29IN2O2S/c1-13(2)10-12(11-14(3,4)17(13)6)16(5)8-7-9-20(15,18)19/h12H,7-11H2,1-6H3
InChIKeyAENVRXBJVBPOPF-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide?
The IUPAC name of 3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide (CID 89032158) is 3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide.
What is the SMILES notation for 3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide?
The canonical SMILES for 3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide is CN(CCCS(=O)(=O)I)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide?
The InChIKey is AENVRXBJVBPOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29IN2O2S/c1-13(2)10-12(11-14(3,4)17(13)6)16(5)8-7-9-20(15,18)19/h12H,7-11H2,1-6H3.
What are the key properties of 3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide?
3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide has a molecular weight of 416.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propane-1-sulfonyl iodide is sourced from PubChem (CID 89032158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).