3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione

C16H23N3O2S — CID 47054834

IUPAC3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCN(Cc2cccs2)C2CC2)C1=O
InChIInChI=1S/C16H23N3O2S/c1-16(2)14(20)19(15(21)17-16)9-4-8-18(12-6-7-12)11-13-5-3-10-22-13/h3,5,10,12H,4,6-9,11H2,1-2H3,(H,17,21)
InChIKeyNJVJUHHKYVYFKU-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.43
Rot. Bonds7

About 3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 47054834) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID47054834
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCN(Cc2cccs2)C2CC2)C1=O
InChIInChI=1S/C16H23N3O2S/c1-16(2)14(20)19(15(21)17-16)9-4-8-18(12-6-7-12)11-13-5-3-10-22-13/h3,5,10,12H,4,6-9,11H2,1-2H3,(H,17,21)
InChIKeyNJVJUHHKYVYFKU-UHFFFAOYSA-N
XLogP2.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.43
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

N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 78852295
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886
3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34185346
9-[cyclopropyl(thiophen-2-ylmethyl)amino]nonane-1-thiol
CID 105344206
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
5,5-dimethyl-3-[3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]imidazolidine-2,4-dione
CID 154773697
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 63655817
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
3-[2-[cycloheptyl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34195722

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 47054834) is 3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCN(Cc2cccs2)C2CC2)C1=O.
What is the InChIKey of 3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is NJVJUHHKYVYFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-16(2)14(20)19(15(21)17-16)9-4-8-18(12-6-7-12)11-13-5-3-10-22-13/h3,5,10,12H,4,6-9,11H2,1-2H3,(H,17,21).
What are the key properties of 3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 321.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 47054834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).