3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide

C10H20INO2S — CID 88983075

IUPAC3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide
SMILESCC(C)(C)CC1CCCN(S(=O)(=O)I)C1
InChIInChI=1S/C10H20INO2S/c1-10(2,3)7-9-5-4-6-12(8-9)15(11,13)14/h9H,4-8H2,1-3H3
InChIKeyYOYITISGBJYRIM-UHFFFAOYSA-N
MW345.25 g/mol
LogP2.81
Rot. Bonds2

About 3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide

3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide (PubChem CID 88983075) has the molecular formula C10H20INO2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide
PubChem CID88983075
Molecular FormulaC10H20INO2S
Molecular Weight345.25 g/mol
Exact Mass345.03
IUPAC Name3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide
SMILESCC(C)(C)CC1CCCN(S(=O)(=O)I)C1
InChIInChI=1S/C10H20INO2S/c1-10(2,3)7-9-5-4-6-12(8-9)15(11,13)14/h9H,4-8H2,1-3H3
InChIKeyYOYITISGBJYRIM-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
2-hydroxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612929
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
3-(2,2-dimethylpropyl)piperidin-1-amine
CID 155330418
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
(1-tert-butylsulfonylpiperidin-3-yl)methanamine
CID 63688999
3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
CID 164775491
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760
2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine
CID 79612453
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide?
The IUPAC name of 3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide (CID 88983075) is 3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide?
The canonical SMILES for 3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide is CC(C)(C)CC1CCCN(S(=O)(=O)I)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide?
The InChIKey is YOYITISGBJYRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20INO2S/c1-10(2,3)7-9-5-4-6-12(8-9)15(11,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide?
3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide has a molecular weight of 345.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide is sourced from PubChem (CID 88983075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).