N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide

C11H19N3OS — CID 60968006

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C11H19N3OS/c1-14-6-4-11(9-12,5-7-14)13-10(15)3-8-16-2/h3-8H2,1-2H3,(H,13,15)
InChIKeyTUGUPSPYFIOHJQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.84
Rot. Bonds4

About N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide

N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide (PubChem CID 60968006) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide
PubChem CID60968006
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C11H19N3OS/c1-14-6-4-11(9-12,5-7-14)13-10(15)3-8-16-2/h3-8H2,1-2H3,(H,13,15)
InChIKeyTUGUPSPYFIOHJQ-UHFFFAOYSA-N
XLogP0.84
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.84
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)-3-methylsulfanylpropanamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide (CID 60968006) is N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide is CSCCC(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide?
The InChIKey is TUGUPSPYFIOHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-14-6-4-11(9-12,5-7-14)13-10(15)3-8-16-2/h3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide?
N-(4-cyano-1-methylpiperidin-4-yl)-3-methylsulfanylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 0.84, 4 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)-3-methylsulfanylpropanamide is sourced from PubChem (CID 60968006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).