piperidin-1-yl(propylsulfinyl)methanone

C9H17NO2S — CID 163841053

IUPACpiperidin-1-yl(propylsulfinyl)methanone
SMILESCCCS(=O)C(=O)N1CCCCC1
InChIInChI=1S/C9H17NO2S/c1-2-8-13(12)9(11)10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyOMALOQCKYQMLTO-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.75
Rot. Bonds2

About piperidin-1-yl(propylsulfinyl)methanone

piperidin-1-yl(propylsulfinyl)methanone (PubChem CID 163841053) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is piperidin-1-yl(propylsulfinyl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(propylsulfinyl)methanone
PubChem CID163841053
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namepiperidin-1-yl(propylsulfinyl)methanone
SMILESCCCS(=O)C(=O)N1CCCCC1
InChIInChI=1S/C9H17NO2S/c1-2-8-13(12)9(11)10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyOMALOQCKYQMLTO-UHFFFAOYSA-N
XLogP1.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze piperidin-1-yl(propylsulfinyl)methanone 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

cyclopropylmethylsulfinyl(piperidin-1-yl)methanone
CID 163386132
azetidin-1-yl(methylsulfinyl)methanone
CID 163386122
1-(azepan-1-yl)propan-1-one
CID 3613534
propane;1-pyrrolidin-1-ylethanone
CID 143432619
1-propylsulfinylpyrrolidine
CID 130963156
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
propyl azepane-1-carboxylate
CID 91585333
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
1-fluorobutyl piperidine-1-carboxylate
CID 68735520
1-piperidin-1-ylhexane-1,3-dione
CID 101450737
piperidin-1-yl(tributylstannyl)methanone
CID 11036834

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(propylsulfinyl)methanone?
The IUPAC name of piperidin-1-yl(propylsulfinyl)methanone (CID 163841053) is piperidin-1-yl(propylsulfinyl)methanone.
What is the SMILES notation for piperidin-1-yl(propylsulfinyl)methanone?
The canonical SMILES for piperidin-1-yl(propylsulfinyl)methanone is CCCS(=O)C(=O)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(propylsulfinyl)methanone?
The InChIKey is OMALOQCKYQMLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-2-8-13(12)9(11)10-6-4-3-5-7-10/h2-8H2,1H3.
What are the key properties of piperidin-1-yl(propylsulfinyl)methanone?
piperidin-1-yl(propylsulfinyl)methanone has a molecular weight of 203.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(propylsulfinyl)methanone is sourced from PubChem (CID 163841053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).