2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile

C11H18N2O2S — CID 62356592

IUPAC2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile
SMILESN#CCSCC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C11H18N2O2S/c12-4-7-16-9-11(15)13-5-1-2-10(8-13)3-6-14/h10,14H,1-3,5-9H2
InChIKeyULYLRGPHSFDSSE-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.86
Rot. Bonds5

About 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile

2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile (PubChem CID 62356592) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile.

Molecular Properties

Compound Name2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile
PubChem CID62356592
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile
SMILESN#CCSCC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C11H18N2O2S/c12-4-7-16-9-11(15)13-5-1-2-10(8-13)3-6-14/h10,14H,1-3,5-9H2
InChIKeyULYLRGPHSFDSSE-UHFFFAOYSA-N
XLogP0.86
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile 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

2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
2-tert-butylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 55064897
2-benzylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356079
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510
2-ethoxy-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372171
2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]sulfanylacetonitrile
CID 43428084
2-[2-oxo-2-(3-propylpiperidin-1-yl)ethyl]sulfanylacetic acid
CID 120550851
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 62372000
3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107217060
2-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetonitrile
CID 112627210

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile?
The IUPAC name of 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile (CID 62356592) is 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile.
What is the SMILES notation for 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile?
The canonical SMILES for 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile is N#CCSCC(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile?
The InChIKey is ULYLRGPHSFDSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c12-4-7-16-9-11(15)13-5-1-2-10(8-13)3-6-14/h10,14H,1-3,5-9H2.
What are the key properties of 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile?
2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile has a molecular weight of 242.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile is sourced from PubChem (CID 62356592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).