N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide

C12H20N2O4S — CID 47251028

IUPACN-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H20N2O4S/c1-9(15)13-11-3-2-5-14(7-11)12(16)10-4-6-19(17,18)8-10/h10-11H,2-8H2,1H3,(H,13,15)
InChIKeyQZNGYYABUOQTCF-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.45
Rot. Bonds2

About N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide

N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide (PubChem CID 47251028) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide
PubChem CID47251028
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H20N2O4S/c1-9(15)13-11-3-2-5-14(7-11)12(16)10-4-6-19(17,18)8-10/h10-11H,2-8H2,1H3,(H,13,15)
InChIKeyQZNGYYABUOQTCF-UHFFFAOYSA-N
XLogP-0.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide (CID 47251028) is N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is QZNGYYABUOQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-9(15)13-11-3-2-5-14(7-11)12(16)10-4-6-19(17,18)8-10/h10-11H,2-8H2,1H3,(H,13,15).
What are the key properties of N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide?
N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 288.37 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 47251028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).