2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine

C11H23NO2S — CID 114597504

IUPAC2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine
SMILESCC1CC(C)C(C)N(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C11H23NO2S/c1-8(2)15(13,14)12-7-9(3)6-10(4)11(12)5/h8-11H,6-7H2,1-5H3
InChIKeyQJZJWMJTUFIUSF-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.09
Rot. Bonds2

About 2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine

2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine (PubChem CID 114597504) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine
PubChem CID114597504
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine
SMILESCC1CC(C)C(C)N(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C11H23NO2S/c1-8(2)15(13,14)12-7-9(3)6-10(4)11(12)5/h8-11H,6-7H2,1-5H3
InChIKeyQJZJWMJTUFIUSF-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine (CID 114597504) is 2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine is CC1CC(C)C(C)N(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine?
The InChIKey is QJZJWMJTUFIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-8(2)15(13,14)12-7-9(3)6-10(4)11(12)5/h8-11H,6-7H2,1-5H3.
What are the key properties of 2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine?
2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine has a molecular weight of 233.38 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 114597504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).