1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one

C9H14N2O3S2 — CID 14676531

IUPAC1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(S(=O)(=O)C2CCCCC2)C(=S)N1
InChIInChI=1S/C9H14N2O3S2/c12-8-6-11(9(15)10-8)16(13,14)7-4-2-1-3-5-7/h7H,1-6H2,(H,10,12,15)
InChIKeyGMUSPVNHRMMEJZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.37
Rot. Bonds2

About 1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one

1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 14676531) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one
PubChem CID14676531
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC Name1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(S(=O)(=O)C2CCCCC2)C(=S)N1
InChIInChI=1S/C9H14N2O3S2/c12-8-6-11(9(15)10-8)16(13,14)7-4-2-1-3-5-7/h7H,1-6H2,(H,10,12,15)
InChIKeyGMUSPVNHRMMEJZ-UHFFFAOYSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one (CID 14676531) is 1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one is O=C1CN(S(=O)(=O)C2CCCCC2)C(=S)N1.
What is the InChIKey of 1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GMUSPVNHRMMEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c12-8-6-11(9(15)10-8)16(13,14)7-4-2-1-3-5-7/h7H,1-6H2,(H,10,12,15).
What are the key properties of 1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one?
1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 262.36 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 14676531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).