N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide

C12H22N2O3S — CID 43615348

IUPACN-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide
SMILESO=C(CC1CCCCN1)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H22N2O3S/c15-12(9-11-3-1-2-6-13-11)14-10-4-7-18(16,17)8-5-10/h10-11,13H,1-9H2,(H,14,15)
InChIKeyGCDKSLCYZDQVGC-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.21
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide

N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide (PubChem CID 43615348) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide
PubChem CID43615348
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide
SMILESO=C(CC1CCCCN1)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H22N2O3S/c15-12(9-11-3-1-2-6-13-11)14-10-4-7-18(16,17)8-5-10/h10-11,13H,1-9H2,(H,14,15)
InChIKeyGCDKSLCYZDQVGC-UHFFFAOYSA-N
XLogP0.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.21
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)-2-piperidin-2-ylacetamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide (CID 43615348) is N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide is O=C(CC1CCCCN1)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide?
The InChIKey is GCDKSLCYZDQVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c15-12(9-11-3-1-2-6-13-11)14-10-4-7-18(16,17)8-5-10/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide?
N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide has a molecular weight of 274.39 g/mol, XLogP of 0.21, 3 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)-2-piperidin-2-ylacetamide is sourced from PubChem (CID 43615348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).