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

C10H17N3OS — CID 60968135

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C10H17N3OS/c1-13-5-3-10(8-11,4-6-13)12-9(14)7-15-2/h3-7H2,1-2H3,(H,12,14)
InChIKeyGGKVCJUSWTWHOS-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.45
Rot. Bonds3

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

N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide (PubChem CID 60968135) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide
PubChem CID60968135
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C10H17N3OS/c1-13-5-3-10(8-11,4-6-13)12-9(14)7-15-2/h3-7H2,1-2H3,(H,12,14)
InChIKeyGGKVCJUSWTWHOS-UHFFFAOYSA-N
XLogP0.45
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide (CID 60968135) is N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide is CSCC(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide?
The InChIKey is GGKVCJUSWTWHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-13-5-3-10(8-11,4-6-13)12-9(14)7-15-2/h3-7H2,1-2H3,(H,12,14).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide has a molecular weight of 227.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-2-methylsulfanylacetamide is sourced from PubChem (CID 60968135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).