3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione

C15H25N3O4S — CID 121160582

IUPAC3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(S(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C15H25N3O4S/c19-14-10-16-15(20)18(14)13-6-8-17(9-7-13)23(21,22)11-12-4-2-1-3-5-12/h12-13H,1-11H2,(H,16,20)
InChIKeyXMUNQNSWJHWOKX-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.91
Rot. Bonds4

About 3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160582) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160582
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(S(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C15H25N3O4S/c19-14-10-16-15(20)18(14)13-6-8-17(9-7-13)23(21,22)11-12-4-2-1-3-5-12/h12-13H,1-11H2,(H,16,20)
InChIKeyXMUNQNSWJHWOKX-UHFFFAOYSA-N
XLogP0.91
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121184004
4-chloro-1-(cyclohexylmethylsulfonyl)piperidine
CID 63396715
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121160578
1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine
CID 127491617
3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825740
3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160518
[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol
CID 128512728
3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121184058
3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160525
1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide
CID 90924048
1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine
CID 59691463
3-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160129

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160582) is 3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CCN(S(=O)(=O)CC2CCCCC2)CC1.
What is the InChIKey of 3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is XMUNQNSWJHWOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c19-14-10-16-15(20)18(14)13-6-8-17(9-7-13)23(21,22)11-12-4-2-1-3-5-12/h12-13H,1-11H2,(H,16,20).
What are the key properties of 3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 343.45 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).