2-(2-methylpropyl)-1-methylsulfonylpiperidine

C10H21NO2S — CID 46222652

IUPAC2-(2-methylpropyl)-1-methylsulfonylpiperidine
SMILESCC(C)CC1CCCCN1S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-9(2)8-10-6-4-5-7-11(10)14(3,12)13/h9-10H,4-8H2,1-3H3
InChIKeyNIALFBFQKHFNRM-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.85
Rot. Bonds3

About 2-(2-methylpropyl)-1-methylsulfonylpiperidine

2-(2-methylpropyl)-1-methylsulfonylpiperidine (PubChem CID 46222652) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-methylsulfonylpiperidine
PubChem CID46222652
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(2-methylpropyl)-1-methylsulfonylpiperidine
SMILESCC(C)CC1CCCCN1S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-9(2)8-10-6-4-5-7-11(10)14(3,12)13/h9-10H,4-8H2,1-3H3
InChIKeyNIALFBFQKHFNRM-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-methylsulfonylpiperidine?
The IUPAC name of 2-(2-methylpropyl)-1-methylsulfonylpiperidine (CID 46222652) is 2-(2-methylpropyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 2-(2-methylpropyl)-1-methylsulfonylpiperidine is CC(C)CC1CCCCN1S(C)(=O)=O.
What is the InChIKey of 2-(2-methylpropyl)-1-methylsulfonylpiperidine?
The InChIKey is NIALFBFQKHFNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)8-10-6-4-5-7-11(10)14(3,12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-1-methylsulfonylpiperidine?
2-(2-methylpropyl)-1-methylsulfonylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 46222652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).