3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one

C11H19N3OS — CID 136871758

IUPAC3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one
SMILESCC(C)C1CS/C(=N/C2CCCNC2=O)N1
InChIInChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(14-9)13-8-4-3-5-12-10(8)15/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRDUGRGSOHFFHNV-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.98
Rot. Bonds2

About 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one

3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one (PubChem CID 136871758) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one
PubChem CID136871758
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one
SMILESCC(C)C1CS/C(=N/C2CCCNC2=O)N1
InChIInChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(14-9)13-8-4-3-5-12-10(8)15/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRDUGRGSOHFFHNV-UHFFFAOYSA-N
XLogP0.98
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one?
The IUPAC name of 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one (CID 136871758) is 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one.
What is the SMILES notation for 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one?
The canonical SMILES for 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one is CC(C)C1CS/C(=N/C2CCCNC2=O)N1.
What is the InChIKey of 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one?
The InChIKey is RDUGRGSOHFFHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(14-9)13-8-4-3-5-12-10(8)15/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one?
3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one has a molecular weight of 241.36 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one is sourced from PubChem (CID 136871758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).