N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide

C11H20N2O3S — CID 43615172

IUPACN-(1,1-dioxothian-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)C1CCCNC1
InChIInChI=1S/C11H20N2O3S/c14-11(9-2-1-5-12-8-9)13-10-3-6-17(15,16)7-4-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyORPGLOLTWMULDF-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.32
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide

N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide (PubChem CID 43615172) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)piperidine-3-carboxamide
PubChem CID43615172
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(1,1-dioxothian-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)C1CCCNC1
InChIInChI=1S/C11H20N2O3S/c14-11(9-2-1-5-12-8-9)13-10-3-6-17(15,16)7-4-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyORPGLOLTWMULDF-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 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 ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide (CID 43615172) is N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide is O=C(NC1CCS(=O)(=O)CC1)C1CCCNC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide?
The InChIKey is ORPGLOLTWMULDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(9-2-1-5-12-8-9)13-10-3-6-17(15,16)7-4-10/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide?
N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43615172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).