3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one

C20H24N4O3S2 — CID 12530688

IUPAC3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1cc(C)n(-c2ccc(S(=O)(=O)N3CC(=O)N(C4CCCCC4)C3=S)cc2)n1
InChIInChI=1S/C20H24N4O3S2/c1-14-12-15(2)24(21-14)17-8-10-18(11-9-17)29(26,27)22-13-19(25)23(20(22)28)16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3
InChIKeyXAKDXTRZYCFOEU-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.94
Rot. Bonds4

About 3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one

3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 12530688) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one
PubChem CID12530688
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1cc(C)n(-c2ccc(S(=O)(=O)N3CC(=O)N(C4CCCCC4)C3=S)cc2)n1
InChIInChI=1S/C20H24N4O3S2/c1-14-12-15(2)24(21-14)17-8-10-18(11-9-17)29(26,27)22-13-19(25)23(20(22)28)16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3
InChIKeyXAKDXTRZYCFOEU-UHFFFAOYSA-N
XLogP2.94
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 3164045
1-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]sulfonyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 12530685
3-[3,5-Dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-YL]-1-(4-phenylpiperazin-1-YL)propan-1-one
CID 16028051
1-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 333605
1-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one
CID 333607
3-Benzyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylidene-1,3-diazinan-4-one
CID 333608
1-Cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea
CID 12530662
1-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 12530684
1-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 12530686
3-Butyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one
CID 12530687
3-Benzyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one
CID 12530689
1-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propyl-2-sulfanylidene-1,3-diazinan-4-one
CID 12530698

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one (CID 12530688) is 3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one is Cc1cc(C)n(-c2ccc(S(=O)(=O)N3CC(=O)N(C4CCCCC4)C3=S)cc2)n1.
What is the InChIKey of 3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XAKDXTRZYCFOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-14-12-15(2)24(21-14)17-8-10-18(11-9-17)29(26,27)22-13-19(25)23(20(22)28)16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one?
3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 432.57 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 12530688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).