N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide

C15H22N2OS — CID 62211364

IUPACN-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
SMILESCSc1ccc(NC(=O)CCC2CCCCN2)cc1
InChIInChI=1S/C15H22N2OS/c1-19-14-8-5-13(6-9-14)17-15(18)10-7-12-4-2-3-11-16-12/h5-6,8-9,12,16H,2-4,7,10-11H2,1H3,(H,17,18)
InChIKeyDYOZBSOAPQIJKP-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.27
Rot. Bonds5

About N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide

N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide (PubChem CID 62211364) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
PubChem CID62211364
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
SMILESCSc1ccc(NC(=O)CCC2CCCCN2)cc1
InChIInChI=1S/C15H22N2OS/c1-19-14-8-5-13(6-9-14)17-15(18)10-7-12-4-2-3-11-16-12/h5-6,8-9,12,16H,2-4,7,10-11H2,1H3,(H,17,18)
InChIKeyDYOZBSOAPQIJKP-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212237
N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
CID 62211363
3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
CID 62813870
N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
CID 107679893
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide
CID 62212616
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
3-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62211801
N-(4-fluorophenyl)-2-[methyl(2-piperidin-2-ylethyl)amino]acetamide
CID 66273842
N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
CID 107599604
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
N-(4-fluorophenyl)-2-(2-piperidin-2-ylethoxy)acetamide
CID 62343782

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide (CID 62211364) is N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide is CSc1ccc(NC(=O)CCC2CCCCN2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide?
The InChIKey is DYOZBSOAPQIJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-19-14-8-5-13(6-9-14)17-15(18)10-7-12-4-2-3-11-16-12/h5-6,8-9,12,16H,2-4,7,10-11H2,1H3,(H,17,18).
What are the key properties of N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide?
N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62211364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).