3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one

C10H16N2OS — CID 3008628

IUPAC3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one
SMILESO=C1CCNC(=S)N1C1CCCCC1
InChIInChI=1S/C10H16N2OS/c13-9-6-7-11-10(14)12(9)8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
InChIKeyYQJSMWDBTGLYAC-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.43
Rot. Bonds1

About 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one

3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one (PubChem CID 3008628) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one
PubChem CID3008628
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one
SMILESO=C1CCNC(=S)N1C1CCCCC1
InChIInChI=1S/C10H16N2OS/c13-9-6-7-11-10(14)12(9)8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
InChIKeyYQJSMWDBTGLYAC-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one?
The IUPAC name of 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one (CID 3008628) is 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one.
What is the SMILES notation for 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one?
The canonical SMILES for 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one is O=C1CCNC(=S)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one?
The InChIKey is YQJSMWDBTGLYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c13-9-6-7-11-10(14)12(9)8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14).
What are the key properties of 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one?
3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one has a molecular weight of 212.32 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one is sourced from PubChem (CID 3008628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).