N-(1-methylsulfonylpiperidin-3-yl)acetamide

C8H16N2O3S — CID 51088156

IUPACN-(1-methylsulfonylpiperidin-3-yl)acetamide
SMILESCC(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-7(11)9-8-4-3-5-10(6-8)14(2,12)13/h8H,3-6H2,1-2H3,(H,9,11)
InChIKeySQVZYVCPRRHZHR-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.45
Rot. Bonds2

About N-(1-methylsulfonylpiperidin-3-yl)acetamide

N-(1-methylsulfonylpiperidin-3-yl)acetamide (PubChem CID 51088156) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)acetamide
PubChem CID51088156
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)acetamide
SMILESCC(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-7(11)9-8-4-3-5-10(6-8)14(2,12)13/h8H,3-6H2,1-2H3,(H,9,11)
InChIKeySQVZYVCPRRHZHR-UHFFFAOYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)acetamide (CID 51088156) is N-(1-methylsulfonylpiperidin-3-yl)acetamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)acetamide is CC(=O)NC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The InChIKey is SQVZYVCPRRHZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(11)9-8-4-3-5-10(6-8)14(2,12)13/h8H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)acetamide?
N-(1-methylsulfonylpiperidin-3-yl)acetamide has a molecular weight of 220.29 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)acetamide is sourced from PubChem (CID 51088156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).