pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate

C15H29NO2S — CID 170534095

IUPACpentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate
SMILESCCCCCOC(=O)CCSCCN1CCCCC1
InChIInChI=1S/C15H29NO2S/c1-2-3-7-12-18-15(17)8-13-19-14-11-16-9-5-4-6-10-16/h2-14H2,1H3
InChIKeyQNOJKNXOJJOGOW-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.33
Rot. Bonds10

About pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate

pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate (PubChem CID 170534095) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate.

Molecular Properties

Compound Namepentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate
PubChem CID170534095
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Namepentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate
SMILESCCCCCOC(=O)CCSCCN1CCCCC1
InChIInChI=1S/C15H29NO2S/c1-2-3-7-12-18-15(17)8-13-19-14-11-16-9-5-4-6-10-16/h2-14H2,1H3
InChIKeyQNOJKNXOJJOGOW-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate 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

dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
2-piperidin-1-ylethyl hexanoate
CID 59204070
CID 173301944
CID 173301944
2-piperidin-1-ylethyl heptadecanoate
CID 118631056
3-(3-oxo-3-tetradecoxypropyl)sulfanylpropanoic acid
CID 54057979
tridecyl 3-[3-(2-hexyldecanoylamino)-4-oxo-4-(3-pyrrolidin-1-ylpropylamino)butyl]sulfanylpropanoate
CID 171634320
butyl 3-decylsulfanylpropanoate
CID 170856947
4-dodecoxybutyl 3-[[3-(4-dodecoxybutoxy)-3-oxopropyl]-(2-pyrrolidin-1-ylethyl)amino]propanoate;ethane
CID 169182854
hexyl 4-(4-hexoxy-4-oxobutyl)sulfanylbutanoate
CID 139695142
2-piperidin-1-ylethyl (Z)-octadec-9-enoate
CID 90811222
butyl 3-(aziridin-1-yl)propanoate;methane
CID 160985577
3-(2-carboxyethylsulfanyl)propanoic acid;dodecyl octadecanoate
CID 159460444

Frequently Asked Questions

What is the IUPAC name of pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate?
The IUPAC name of pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate (CID 170534095) is pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate.
What is the SMILES notation for pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate?
The canonical SMILES for pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate is CCCCCOC(=O)CCSCCN1CCCCC1.
What is the InChIKey of pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate?
The InChIKey is QNOJKNXOJJOGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-3-7-12-18-15(17)8-13-19-14-11-16-9-5-4-6-10-16/h2-14H2,1H3.
What are the key properties of pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate?
pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate has a molecular weight of 287.47 g/mol, XLogP of 3.33, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate is sourced from PubChem (CID 170534095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).