N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide

C13H26N2OS — CID 115870642

IUPACN-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide
SMILESCCSCC(C)NC(=O)CCC1CCNCC1
InChIInChI=1S/C13H26N2OS/c1-3-17-10-11(2)15-13(16)5-4-12-6-8-14-9-7-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyDBKXYCNPRXVPKU-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.02
Rot. Bonds7

About N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide

N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide (PubChem CID 115870642) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide
PubChem CID115870642
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide
SMILESCCSCC(C)NC(=O)CCC1CCNCC1
InChIInChI=1S/C13H26N2OS/c1-3-17-10-11(2)15-13(16)5-4-12-6-8-14-9-7-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyDBKXYCNPRXVPKU-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-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-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
N-ethyl-2-(3-piperidin-4-ylpropanoylamino)propanamide
CID 55049239
N-[(1R)-1-cyclopentylethyl]-3-piperidin-4-ylpropanamide
CID 81390674
N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide
CID 81386056
N-(1-cyclohexylethyl)-3-piperidin-4-ylpropanamide
CID 62405617
(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
CID 62210939
6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide
CID 113499092
N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 115739941
(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide
CID 104869071
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide
CID 62210092
N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide
CID 62210178
3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
CID 55049718

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide (CID 115870642) is N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide is CCSCC(C)NC(=O)CCC1CCNCC1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide?
The InChIKey is DBKXYCNPRXVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-3-17-10-11(2)15-13(16)5-4-12-6-8-14-9-7-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide?
N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide has a molecular weight of 258.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 115870642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).