1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid

C11H19NO4S — CID 114426723

IUPAC1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C2CCS(=O)(=O)C2)C(C(=O)O)C1
InChIInChI=1S/C11H19NO4S/c1-8-2-4-12(10(6-8)11(13)14)9-3-5-17(15,16)7-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyRBWWLKDJJCCXQU-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.36
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid

1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426723) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114426723
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C2CCS(=O)(=O)C2)C(C(=O)O)C1
InChIInChI=1S/C11H19NO4S/c1-8-2-4-12(10(6-8)11(13)14)9-3-5-17(15,16)7-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyRBWWLKDJJCCXQU-UHFFFAOYSA-N
XLogP0.36
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-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

Related Compounds

methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylpiperidine-2-carboxylic acid
CID 114426752
1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine
CID 63923553
4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 114351561
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid
CID 114621834
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
2-(1,1-dioxothiolan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895452
1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
3-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-2-yl]propanoic acid
CID 117028648
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425408
4-methyl-1,1-dioxothiane-3-carboxylic acid
CID 84772401
4-hydroxy-1,1-dioxothiane-3-carboxylic acid
CID 82401360

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid (CID 114426723) is 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C2CCS(=O)(=O)C2)C(C(=O)O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is RBWWLKDJJCCXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-8-2-4-12(10(6-8)11(13)14)9-3-5-17(15,16)7-9/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid?
1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).