2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide

C17H28N4O4S — CID 140731693

IUPAC2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide
SMILESCC(=O)NC1CC(C(=O)NC2SCCC2C(=O)N2CCOCC2)CCN1
InChIInChI=1S/C17H28N4O4S/c1-11(22)19-14-10-12(2-4-18-14)15(23)20-16-13(3-9-26-16)17(24)21-5-7-25-8-6-21/h12-14,16,18H,2-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyIZQNXKGMHQAPAQ-UHFFFAOYSA-N
MW384.50 g/mol
LogP-0.50
Rot. Bonds4

About 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide

2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide (PubChem CID 140731693) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide
PubChem CID140731693
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide
SMILESCC(=O)NC1CC(C(=O)NC2SCCC2C(=O)N2CCOCC2)CCN1
InChIInChI=1S/C17H28N4O4S/c1-11(22)19-14-10-12(2-4-18-14)15(23)20-16-13(3-9-26-16)17(24)21-5-7-25-8-6-21/h12-14,16,18H,2-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyIZQNXKGMHQAPAQ-UHFFFAOYSA-N
XLogP-0.50
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide 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 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide (CID 140731693) is 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide is CC(=O)NC1CC(C(=O)NC2SCCC2C(=O)N2CCOCC2)CCN1.
What is the InChIKey of 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide?
The InChIKey is IZQNXKGMHQAPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-11(22)19-14-10-12(2-4-18-14)15(23)20-16-13(3-9-26-16)17(24)21-5-7-25-8-6-21/h12-14,16,18H,2-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide?
2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide has a molecular weight of 384.50 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-(morpholine-4-carbonyl)thiolan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 140731693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).