3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one

C12H20N2OS — CID 3144189

IUPAC3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)C1NC(=S)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H20N2OS/c1-8(2)10-11(15)14(12(16)13-10)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,16)
InChIKeyONXDYTSYCAPBEQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.06
Rot. Bonds2

About 3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one

3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3144189) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
PubChem CID3144189
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)C1NC(=S)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H20N2OS/c1-8(2)10-11(15)14(12(16)13-10)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,16)
InChIKeyONXDYTSYCAPBEQ-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.06
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-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one (CID 3144189) is 3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one is CC(C)C1NC(=S)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ONXDYTSYCAPBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)10-11(15)14(12(16)13-10)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 240.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3144189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).