1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one

C15H18N2O2S — CID 3601413

IUPAC1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one
SMILESO=C(CCn1c(=S)oc2ccccc21)N1CCCCC1
InChIInChI=1S/C15H18N2O2S/c18-14(16-9-4-1-5-10-16)8-11-17-12-6-2-3-7-13(12)19-15(17)20/h2-3,6-7H,1,4-5,8-11H2
InChIKeyNSUZOXYHDWLLIF-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.37
Rot. Bonds3

About 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one

1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one (PubChem CID 3601413) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one
PubChem CID3601413
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one
SMILESO=C(CCn1c(=S)oc2ccccc21)N1CCCCC1
InChIInChI=1S/C15H18N2O2S/c18-14(16-9-4-1-5-10-16)8-11-17-12-6-2-3-7-13(12)19-15(17)20/h2-3,6-7H,1,4-5,8-11H2
InChIKeyNSUZOXYHDWLLIF-UHFFFAOYSA-N
XLogP3.37
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one 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 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one (CID 3601413) is 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one is O=C(CCn1c(=S)oc2ccccc21)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one?
The InChIKey is NSUZOXYHDWLLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-14(16-9-4-1-5-10-16)8-11-17-12-6-2-3-7-13(12)19-15(17)20/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one?
1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one has a molecular weight of 290.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one is sourced from PubChem (CID 3601413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).