4-methyl-1-methylsulfinylpiperidine

C7H15NOS — CID 89268296

IUPAC4-methyl-1-methylsulfinylpiperidine
SMILESCC1CCN(S(C)=O)CC1
InChIInChI=1S/C7H15NOS/c1-7-3-5-8(6-4-7)10(2)9/h7H,3-6H2,1-2H3
InChIKeyYLHMQLOFGUMOGF-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.01
Rot. Bonds1

About 4-methyl-1-methylsulfinylpiperidine

4-methyl-1-methylsulfinylpiperidine (PubChem CID 89268296) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 4-methyl-1-methylsulfinylpiperidine.

Molecular Properties

Compound Name4-methyl-1-methylsulfinylpiperidine
PubChem CID89268296
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name4-methyl-1-methylsulfinylpiperidine
SMILESCC1CCN(S(C)=O)CC1
InChIInChI=1S/C7H15NOS/c1-7-3-5-8(6-4-7)10(2)9/h7H,3-6H2,1-2H3
InChIKeyYLHMQLOFGUMOGF-UHFFFAOYSA-N
XLogP1.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-1-methylsulfinylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfinylpiperidine?
The IUPAC name of 4-methyl-1-methylsulfinylpiperidine (CID 89268296) is 4-methyl-1-methylsulfinylpiperidine.
What is the SMILES notation for 4-methyl-1-methylsulfinylpiperidine?
The canonical SMILES for 4-methyl-1-methylsulfinylpiperidine is CC1CCN(S(C)=O)CC1.
What is the InChIKey of 4-methyl-1-methylsulfinylpiperidine?
The InChIKey is YLHMQLOFGUMOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7-3-5-8(6-4-7)10(2)9/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-methylsulfinylpiperidine?
4-methyl-1-methylsulfinylpiperidine has a molecular weight of 161.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfinylpiperidine is sourced from PubChem (CID 89268296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).