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

C15H26N4O3S — CID 123543688

IUPAC2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide
SMILESCC(=O)NC1CC(C(=O)NC2SCCC2C(=O)N(C)C)CCN1
InChIInChI=1S/C15H26N4O3S/c1-9(20)17-12-8-10(4-6-16-12)13(21)18-14-11(5-7-23-14)15(22)19(2)3/h10-12,14,16H,4-8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQWHOHDQURSHCGZ-UHFFFAOYSA-N
MW342.47 g/mol
LogP-0.27
Rot. Bonds4

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

2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide (PubChem CID 123543688) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide
PubChem CID123543688
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide
SMILESCC(=O)NC1CC(C(=O)NC2SCCC2C(=O)N(C)C)CCN1
InChIInChI=1S/C15H26N4O3S/c1-9(20)17-12-8-10(4-6-16-12)13(21)18-14-11(5-7-23-14)15(22)19(2)3/h10-12,14,16H,4-8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQWHOHDQURSHCGZ-UHFFFAOYSA-N
XLogP-0.27
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide (CID 123543688) is 2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide is CC(=O)NC1CC(C(=O)NC2SCCC2C(=O)N(C)C)CCN1.
What is the InChIKey of 2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide?
The InChIKey is QWHOHDQURSHCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-9(20)17-12-8-10(4-6-16-12)13(21)18-14-11(5-7-23-14)15(22)19(2)3/h10-12,14,16H,4-8H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide?
2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide has a molecular weight of 342.47 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-(dimethylcarbamoyl)thiolan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 123543688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).