(Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide

C10H15N3OS — CID 86615184

IUPAC(Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide
SMILESC/C(=C(\C#N)C(N)=S)N1CCC(O)CC1
InChIInChI=1S/C10H15N3OS/c1-7(9(6-11)10(12)15)13-4-2-8(14)3-5-13/h8,14H,2-5H2,1H3,(H2,12,15)/b9-7-
InChIKeyWFNSMBDVBXTXNZ-CLFYSBASSA-N
MW225.32 g/mol
LogP0.53
Rot. Bonds2

About (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide

(Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide (PubChem CID 86615184) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide
PubChem CID86615184
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide
SMILESC/C(=C(\C#N)C(N)=S)N1CCC(O)CC1
InChIInChI=1S/C10H15N3OS/c1-7(9(6-11)10(12)15)13-4-2-8(14)3-5-13/h8,14H,2-5H2,1H3,(H2,12,15)/b9-7-
InChIKeyWFNSMBDVBXTXNZ-CLFYSBASSA-N
XLogP0.53
TPSA73.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide?
The IUPAC name of (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide (CID 86615184) is (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide?
The canonical SMILES for (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide is C/C(=C(\C#N)C(N)=S)N1CCC(O)CC1.
What is the InChIKey of (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide?
The InChIKey is WFNSMBDVBXTXNZ-CLFYSBASSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(9(6-11)10(12)15)13-4-2-8(14)3-5-13/h8,14H,2-5H2,1H3,(H2,12,15)/b9-7-.
What are the key properties of (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide?
(Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide has a molecular weight of 225.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide is sourced from PubChem (CID 86615184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).