N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide

C10H17N3O3S — CID 61355057

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide
SMILESCN1CCC(C#N)(NC(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C10H17N3O3S/c1-13-5-3-10(8-11,4-6-13)12-9(14)7-17(2,15)16/h3-7H2,1-2H3,(H,12,14)
InChIKeyUSORWPOQRHTMIK-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.86
Rot. Bonds3

About N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide

N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide (PubChem CID 61355057) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide
PubChem CID61355057
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide
SMILESCN1CCC(C#N)(NC(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C10H17N3O3S/c1-13-5-3-10(8-11,4-6-13)12-9(14)7-17(2,15)16/h3-7H2,1-2H3,(H,12,14)
InChIKeyUSORWPOQRHTMIK-UHFFFAOYSA-N
XLogP-0.86
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide (CID 61355057) is N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide is CN1CCC(C#N)(NC(=O)CS(C)(=O)=O)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide?
The InChIKey is USORWPOQRHTMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-13-5-3-10(8-11,4-6-13)12-9(14)7-17(2,15)16/h3-7H2,1-2H3,(H,12,14).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide has a molecular weight of 259.33 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfonylacetamide is sourced from PubChem (CID 61355057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).