(5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione

C16H24N4O2S — CID 30956220

IUPAC(5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCCC[C@@H]1NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O
InChIInChI=1S/C16H24N4O2S/c1-2-3-14-15(21)20(16(22)17-14)12-19-7-5-18(6-8-19)10-13-4-9-23-11-13/h4,9,11,14H,2-3,5-8,10,12H2,1H3,(H,17,22)/t14-/m0/s1
InChIKeyOLYUXSLDTGCWBI-AWEZNQCLSA-N
MW336.46 g/mol
LogP1.54
Rot. Bonds6

About (5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione

(5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 30956220) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID30956220
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCCC[C@@H]1NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O
InChIInChI=1S/C16H24N4O2S/c1-2-3-14-15(21)20(16(22)17-14)12-19-7-5-18(6-8-19)10-13-4-9-23-11-13/h4,9,11,14H,2-3,5-8,10,12H2,1H3,(H,17,22)/t14-/m0/s1
InChIKeyOLYUXSLDTGCWBI-AWEZNQCLSA-N
XLogP1.54
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 9172270
(3aS,7aR)-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9332150
6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873555
(5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 9244177
3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42911216
1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770650
(7S,9aR)-7-(4-aminobutyl)-2-(thiophen-3-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56858767
(7S,9aR)-7,8-dimethyl-2-(thiophen-3-ylmethyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56857653
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 30628342

Frequently Asked Questions

What is the IUPAC name of (5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 30956220) is (5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is CCC[C@@H]1NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O.
What is the InChIKey of (5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is OLYUXSLDTGCWBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-2-3-14-15(21)20(16(22)17-14)12-19-7-5-18(6-8-19)10-13-4-9-23-11-13/h4,9,11,14H,2-3,5-8,10,12H2,1H3,(H,17,22)/t14-/m0/s1.
What are the key properties of (5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 336.46 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 30956220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).