1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione

C19H23N5O7S — CID 4858215

IUPAC1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H23N5O7S/c25-17-18(26)23(14-3-1-2-4-14)19(27)22(17)13-20-9-11-21(12-10-20)32(30,31)16-7-5-15(6-8-16)24(28)29/h5-8,14H,1-4,9-13H2
InChIKeyPDSBATLIAZEQRF-UHFFFAOYSA-N
MW465.49 g/mol
LogP0.59
Rot. Bonds6

About 1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 4858215) has the molecular formula C19H23N5O7S and a molecular weight of 465.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID4858215
Molecular FormulaC19H23N5O7S
Molecular Weight465.49 g/mol
Exact Mass465.13
IUPAC Name1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H23N5O7S/c25-17-18(26)23(14-3-1-2-4-14)19(27)22(17)13-20-9-11-21(12-10-20)32(30,31)16-7-5-15(6-8-16)24(28)29/h5-8,14H,1-4,9-13H2
InChIKeyPDSBATLIAZEQRF-UHFFFAOYSA-N
XLogP0.59
TPSA141.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979817
5-methyl-5-(4-methylphenyl)-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 42911148
(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
CID 93033901
1-[(1R,2S)-2-methylcyclohexyl]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4,5-trione
CID 7800254
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 11897640
3-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 79867888
1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 17349688
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 7325644
(1-methylsulfonylpiperidin-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 24583608
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
CID 39977653
1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 90146968
1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1343020

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione (CID 4858215) is 1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is PDSBATLIAZEQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O7S/c25-17-18(26)23(14-3-1-2-4-14)19(27)22(17)13-20-9-11-21(12-10-20)32(30,31)16-7-5-15(6-8-16)24(28)29/h5-8,14H,1-4,9-13H2.
What are the key properties of 1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 465.49 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 4858215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).