3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide

C11H22N2OS — CID 59938043

IUPAC3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide
SMILESCSCCC(=O)NCCN1CCCCC1
InChIInChI=1S/C11H22N2OS/c1-15-10-5-11(14)12-6-9-13-7-3-2-4-8-13/h2-10H2,1H3,(H,12,14)
InChIKeyFQJMXCHDMNJIPW-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.34
Rot. Bonds6

About 3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide

3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 59938043) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID59938043
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide
SMILESCSCCC(=O)NCCN1CCCCC1
InChIInChI=1S/C11H22N2OS/c1-15-10-5-11(14)12-6-9-13-7-3-2-4-8-13/h2-10H2,1H3,(H,12,14)
InChIKeyFQJMXCHDMNJIPW-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide (CID 59938043) is 3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide is CSCCC(=O)NCCN1CCCCC1.
What is the InChIKey of 3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is FQJMXCHDMNJIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-15-10-5-11(14)12-6-9-13-7-3-2-4-8-13/h2-10H2,1H3,(H,12,14).
What are the key properties of 3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide?
3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 230.38 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 59938043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).