2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide

C11H20N2O3S — CID 43649180

IUPAC2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CCNCC1
InChIInChI=1S/C11H20N2O3S/c14-11(13-10-1-4-12-5-2-10)7-9-3-6-17(15,16)8-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyNLAQWGFOEWOFRR-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.32
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide

2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide (PubChem CID 43649180) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide
PubChem CID43649180
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CCNCC1
InChIInChI=1S/C11H20N2O3S/c14-11(13-10-1-4-12-5-2-10)7-9-3-6-17(15,16)8-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyNLAQWGFOEWOFRR-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 62378969
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
N-(1,1-dioxothiolan-3-yl)-2-piperidin-4-ylacetamide
CID 24700012
N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222590
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
1-[(3R)-1,1-dioxothiolan-3-yl]-3-piperidin-4-ylurea
CID 129409749
2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 43649177
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 107846359
N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 63193390

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide (CID 43649180) is 2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide is O=C(CC1CCS(=O)(=O)C1)NC1CCNCC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide?
The InChIKey is NLAQWGFOEWOFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(13-10-1-4-12-5-2-10)7-9-3-6-17(15,16)8-9/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide?
2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide has a molecular weight of 260.36 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 43649180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).