5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione

C21H29N3O4S — CID 139009104

IUPAC5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C21H29N3O4S/c1-21(19(25)22-20(26)23-21)17-11-13-24(14-12-17)29(27,28)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-14H2,1H3,(H2,22,23,25,26)
InChIKeyPIYSFKQORCMVAC-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.73
Rot. Bonds4

About 5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione

5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 139009104) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID139009104
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C21H29N3O4S/c1-21(19(25)22-20(26)23-21)17-11-13-24(14-12-17)29(27,28)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-14H2,1H3,(H2,22,23,25,26)
InChIKeyPIYSFKQORCMVAC-UHFFFAOYSA-N
XLogP2.73
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 139012491
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
(5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95789139
5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 56706575
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503
1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971532
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
CID 1262754
1-(4-cyclohexylphenyl)sulfonylazetidin-3-amine
CID 65244291
4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2932492
[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971791

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 139009104) is 5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione is CC1(C2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PIYSFKQORCMVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-21(19(25)22-20(26)23-21)17-11-13-24(14-12-17)29(27,28)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-14H2,1H3,(H2,22,23,25,26).
What are the key properties of 5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 419.55 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 139009104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).