cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone

C10H15NOS2 — CID 82115557

IUPACcyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
SMILESO=C(C1CCCCC1)N1CCSC1=S
InChIInChI=1S/C10H15NOS2/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h8H,1-7H2
InChIKeyVJULKCQJVPZQND-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.43
Rot. Bonds1

About cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone

cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone (PubChem CID 82115557) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
PubChem CID82115557
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Namecyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
SMILESO=C(C1CCCCC1)N1CCSC1=S
InChIInChI=1S/C10H15NOS2/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h8H,1-7H2
InChIKeyVJULKCQJVPZQND-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone (CID 82115557) is cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone is O=C(C1CCCCC1)N1CCSC1=S.
What is the InChIKey of cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The InChIKey is VJULKCQJVPZQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h8H,1-7H2.
What are the key properties of cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone has a molecular weight of 229.37 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 82115557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).