N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide

C14H28N2OS — CID 114247975

IUPACN-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCCSCCCNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C14H28N2OS/c1-4-18-10-6-9-16-13(17)14(2,3)12-7-5-8-15-11-12/h12,15H,4-11H2,1-3H3,(H,16,17)
InChIKeyJAFCQJYOUMZVNK-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.27
Rot. Bonds7

About N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide

N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 114247975) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID114247975
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCCSCCCNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C14H28N2OS/c1-4-18-10-6-9-16-13(17)14(2,3)12-7-5-8-15-11-12/h12,15H,4-11H2,1-3H3,(H,16,17)
InChIKeyJAFCQJYOUMZVNK-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031262
2-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-2-piperidin-3-ylpropanamide
CID 115881590
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 106398324
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2-methyl-N-(2-methylbutan-2-yl)-2-piperidin-3-ylpropanamide
CID 83199732
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 106236621
2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid
CID 83199342
2,2-dimethyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanamide
CID 103884926
N-[3-(2-methoxyethylamino)-3-oxopropyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 115881596
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031807

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide (CID 114247975) is N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide is CCSCCCNC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is JAFCQJYOUMZVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-4-18-10-6-9-16-13(17)14(2,3)12-7-5-8-15-11-12/h12,15H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide?
N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 272.46 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 114247975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).