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

C11H19NO4S — CID 63124530

IUPAC1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C11H19NO4S/c1-11(10(13)14)3-5-12(6-4-11)9-2-7-17(15,16)8-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyVISCONHSHWXQQG-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.36
Rot. Bonds2

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

1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124530) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63124530
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C11H19NO4S/c1-11(10(13)14)3-5-12(6-4-11)9-2-7-17(15,16)8-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyVISCONHSHWXQQG-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-4-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 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid (CID 63124530) is 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is VISCONHSHWXQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-11(10(13)14)3-5-12(6-4-11)9-2-7-17(15,16)8-9/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid?
1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 63124530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).