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

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Related Compounds

methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate
CID 99995918
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 141185672
(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844959
(2R,6R)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844957
(2R,6S)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
CID 762557
piperidine-1,2,6-tricarboxylic acid
CID 22987898
(2S,5S)-1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid
CID 136583161
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol
CID 104967953
1-(bromomethylsulfonyl)-2,6-dimethylpiperidine
CID 83085192
1-(3-methyl-3-methylsulfonylbutyl)sulfonylpiperidine-2-carboxylic acid
CID 122070160

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).