6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid

C12H21NO5S — CID 122104491

IUPAC6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC1OCCC1S(=O)(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C12H21NO5S/c1-8-3-4-10(12(14)15)7-13(8)19(16,17)11-5-6-18-9(11)2/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyJWUZYWDFHQTGHA-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.68
Rot. Bonds3

About 6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid

6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 122104491) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is 6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID122104491
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Name6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC1OCCC1S(=O)(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C12H21NO5S/c1-8-3-4-10(12(14)15)7-13(8)19(16,17)11-5-6-18-9(11)2/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyJWUZYWDFHQTGHA-UHFFFAOYSA-N
XLogP0.68
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-(2-methyloxan-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 122104610
1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122104299
1-(3,3-dimethylbutylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083362
1-but-3-enylsulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104288
6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid
CID 122104620
1-(2-ethylbutylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122104291
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]-6-methylpiperidine-3-carboxylic acid
CID 122104498
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889
(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
6-methyl-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122083292
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 122104210

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid (CID 122104491) is 6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid is CC1OCCC1S(=O)(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is JWUZYWDFHQTGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-8-3-4-10(12(14)15)7-13(8)19(16,17)11-5-6-18-9(11)2/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid?
6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122104491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).