4-(2-propan-2-ylsulfonylethyl)piperidine

C10H21NO2S — CID 57194852

IUPAC4-(2-propan-2-ylsulfonylethyl)piperidine
SMILESCC(C)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C10H21NO2S/c1-9(2)14(12,13)8-5-10-3-6-11-7-4-10/h9-11H,3-8H2,1-2H3
InChIKeyXQCJLSAMZGSTQG-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds4

About 4-(2-propan-2-ylsulfonylethyl)piperidine

4-(2-propan-2-ylsulfonylethyl)piperidine (PubChem CID 57194852) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(2-propan-2-ylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-(2-propan-2-ylsulfonylethyl)piperidine
PubChem CID57194852
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-(2-propan-2-ylsulfonylethyl)piperidine
SMILESCC(C)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C10H21NO2S/c1-9(2)14(12,13)8-5-10-3-6-11-7-4-10/h9-11H,3-8H2,1-2H3
InChIKeyXQCJLSAMZGSTQG-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylsulfonylethyl)piperidine?
The IUPAC name of 4-(2-propan-2-ylsulfonylethyl)piperidine (CID 57194852) is 4-(2-propan-2-ylsulfonylethyl)piperidine.
What is the SMILES notation for 4-(2-propan-2-ylsulfonylethyl)piperidine?
The canonical SMILES for 4-(2-propan-2-ylsulfonylethyl)piperidine is CC(C)S(=O)(=O)CCC1CCNCC1.
What is the InChIKey of 4-(2-propan-2-ylsulfonylethyl)piperidine?
The InChIKey is XQCJLSAMZGSTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)14(12,13)8-5-10-3-6-11-7-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylsulfonylethyl)piperidine?
4-(2-propan-2-ylsulfonylethyl)piperidine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylsulfonylethyl)piperidine is sourced from PubChem (CID 57194852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).