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

C13H23NO4S — CID 63127077

IUPAC1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H23NO4S/c1-2-4-13(12(15)16)5-7-14(8-6-13)11-3-9-19(17,18)10-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyWQODMNDNQVXRFD-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.14
Rot. Bonds4

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

1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63127077) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63127077
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H23NO4S/c1-2-4-13(12(15)16)5-7-14(8-6-13)11-3-9-19(17,18)10-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyWQODMNDNQVXRFD-UHFFFAOYSA-N
XLogP1.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-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-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid (CID 63127077) is 1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is WQODMNDNQVXRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-2-4-13(12(15)16)5-7-14(8-6-13)11-3-9-19(17,18)10-11/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid?
1-(1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 289.40 g/mol, XLogP of 1.14, 4 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-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63127077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).