(3S)-3-methyl-1-methylsulfonylpiperidine

C7H15NO2S — CID 799018

IUPAC(3S)-3-methyl-1-methylsulfonylpiperidine
SMILESC[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO2S/c1-7-4-3-5-8(6-7)11(2,9)10/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLCTNPUZDOIMCGM-ZETCQYMHSA-N
MW177.27 g/mol
LogP0.68
Rot. Bonds1

About (3S)-3-methyl-1-methylsulfonylpiperidine

(3S)-3-methyl-1-methylsulfonylpiperidine (PubChem CID 799018) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (3S)-3-methyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-methylsulfonylpiperidine
PubChem CID799018
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(3S)-3-methyl-1-methylsulfonylpiperidine
SMILESC[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO2S/c1-7-4-3-5-8(6-7)11(2,9)10/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLCTNPUZDOIMCGM-ZETCQYMHSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-methylsulfonylpiperidine?
The IUPAC name of (3S)-3-methyl-1-methylsulfonylpiperidine (CID 799018) is (3S)-3-methyl-1-methylsulfonylpiperidine.
What is the SMILES notation for (3S)-3-methyl-1-methylsulfonylpiperidine?
The canonical SMILES for (3S)-3-methyl-1-methylsulfonylpiperidine is C[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3S)-3-methyl-1-methylsulfonylpiperidine?
The InChIKey is LCTNPUZDOIMCGM-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7-4-3-5-8(6-7)11(2,9)10/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-methyl-1-methylsulfonylpiperidine?
(3S)-3-methyl-1-methylsulfonylpiperidine has a molecular weight of 177.27 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 799018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).