1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid

C13H24N2O4S — CID 62936890

IUPAC1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC1(C)CCN(S(=O)(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C13H24N2O4S/c1-13(2)5-8-14(9-6-13)20(18,19)15-7-3-4-11(10-15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyDPJDMACTELFZFH-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.15
Rot. Bonds3

About 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid

1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 62936890) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID62936890
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC1(C)CCN(S(=O)(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C13H24N2O4S/c1-13(2)5-8-14(9-6-13)20(18,19)15-7-3-4-11(10-15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyDPJDMACTELFZFH-UHFFFAOYSA-N
XLogP1.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-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

Related Compounds

(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844
1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 60858298
1-(1,4-thiazepan-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 61419208
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)piperidine-3-carboxylic acid
CID 66392901
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid (CID 62936890) is 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid is CC1(C)CCN(S(=O)(=O)N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is DPJDMACTELFZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-13(2)5-8-14(9-6-13)20(18,19)15-7-3-4-11(10-15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 304.41 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 62936890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).