3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

C12H13N3O3S — CID 121159693

IUPAC3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1cccs1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C12H13N3O3S/c16-10-6-13-12(18)15(10)8-3-4-14(7-8)11(17)9-2-1-5-19-9/h1-2,5,8H,3-4,6-7H2,(H,13,18)
InChIKeyYUBWZTMUDKORIS-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.51
Rot. Bonds2

About 3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159693) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159693
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1cccs1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C12H13N3O3S/c16-10-6-13-12(18)15(10)8-3-4-14(7-8)11(17)9-2-1-5-19-9/h1-2,5,8H,3-4,6-7H2,(H,13,18)
InChIKeyYUBWZTMUDKORIS-UHFFFAOYSA-N
XLogP0.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.51
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-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159966
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752
3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159925
3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159881
3-[1-(4-oxochromene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159763
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 119100037
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159693) is 3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C(c1cccs1)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is YUBWZTMUDKORIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-10-6-13-12(18)15(10)8-3-4-14(7-8)11(17)9-2-1-5-19-9/h1-2,5,8H,3-4,6-7H2,(H,13,18).
What are the key properties of 3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 279.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).