1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide

C11H20N2O3S — CID 175824303

IUPAC1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide
SMILESNC(=O)C1CCS(=O)(=O)C(C2CCCNC2)C1
InChIInChI=1S/C11H20N2O3S/c12-11(14)8-3-5-17(15,16)10(6-8)9-2-1-4-13-7-9/h8-10,13H,1-7H2,(H2,12,14)
InChIKeyUNKOEAPXDXCSEF-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.34
Rot. Bonds2

About 1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide

1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide (PubChem CID 175824303) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide
PubChem CID175824303
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide
SMILESNC(=O)C1CCS(=O)(=O)C(C2CCCNC2)C1
InChIInChI=1S/C11H20N2O3S/c12-11(14)8-3-5-17(15,16)10(6-8)9-2-1-4-13-7-9/h8-10,13H,1-7H2,(H2,12,14)
InChIKeyUNKOEAPXDXCSEF-UHFFFAOYSA-N
XLogP-0.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide?
The IUPAC name of 1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide (CID 175824303) is 1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide.
What is the SMILES notation for 1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide?
The canonical SMILES for 1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide is NC(=O)C1CCS(=O)(=O)C(C2CCCNC2)C1.
What is the InChIKey of 1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide?
The InChIKey is UNKOEAPXDXCSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-11(14)8-3-5-17(15,16)10(6-8)9-2-1-4-13-7-9/h8-10,13H,1-7H2,(H2,12,14).
What are the key properties of 1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide?
1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-piperidin-3-ylthiane-4-carboxamide is sourced from PubChem (CID 175824303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).