N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide

C15H17N3O2S — CID 87639276

IUPACN-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2n[nH]c(=S)o2)cc1)C1CCCCC1
InChIInChI=1S/C15H17N3O2S/c19-13(10-4-2-1-3-5-10)16-12-8-6-11(7-9-12)14-17-18-15(21)20-14/h6-10H,1-5H2,(H,16,19)(H,18,21)
InChIKeyYHDHGMZWJQOPPQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.92
Rot. Bonds3

About N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide

N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide (PubChem CID 87639276) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide
PubChem CID87639276
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2n[nH]c(=S)o2)cc1)C1CCCCC1
InChIInChI=1S/C15H17N3O2S/c19-13(10-4-2-1-3-5-10)16-12-8-6-11(7-9-12)14-17-18-15(21)20-14/h6-10H,1-5H2,(H,16,19)(H,18,21)
InChIKeyYHDHGMZWJQOPPQ-UHFFFAOYSA-N
XLogP3.92
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide 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 N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide (CID 87639276) is N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2n[nH]c(=S)o2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is YHDHGMZWJQOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-13(10-4-2-1-3-5-10)16-12-8-6-11(7-9-12)14-17-18-15(21)20-14/h6-10H,1-5H2,(H,16,19)(H,18,21).
What are the key properties of N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide?
N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 87639276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).