6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid

C8H15NO4S — CID 130693813

IUPAC6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid
SMILESCC1CCCC(C(=O)O)N1S(C)(=O)=O
InChIInChI=1S/C8H15NO4S/c1-6-4-3-5-7(8(10)11)9(6)14(2,12)13/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyHPQYJWZXJOGRSZ-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.27
Rot. Bonds2

About 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid

6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid (PubChem CID 130693813) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid
PubChem CID130693813
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid
SMILESCC1CCCC(C(=O)O)N1S(C)(=O)=O
InChIInChI=1S/C8H15NO4S/c1-6-4-3-5-7(8(10)11)9(6)14(2,12)13/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyHPQYJWZXJOGRSZ-UHFFFAOYSA-N
XLogP0.27
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid 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 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid (CID 130693813) is 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid is CC1CCCC(C(=O)O)N1S(C)(=O)=O.
What is the InChIKey of 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid?
The InChIKey is HPQYJWZXJOGRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-6-4-3-5-7(8(10)11)9(6)14(2,12)13/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid?
6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 130693813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).