1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one

C12H15N3O3S — CID 79822950

IUPAC1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one
SMILESCOc1cc(N)ccc1SCC(=O)N1CCNC1=O
InChIInChI=1S/C12H15N3O3S/c1-18-9-6-8(13)2-3-10(9)19-7-11(16)15-5-4-14-12(15)17/h2-3,6H,4-5,7,13H2,1H3,(H,14,17)
InChIKeyUGRRDBMQPSGHET-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.92
Rot. Bonds4

About 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one

1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one (PubChem CID 79822950) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one
PubChem CID79822950
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one
SMILESCOc1cc(N)ccc1SCC(=O)N1CCNC1=O
InChIInChI=1S/C12H15N3O3S/c1-18-9-6-8(13)2-3-10(9)19-7-11(16)15-5-4-14-12(15)17/h2-3,6H,4-5,7,13H2,1H3,(H,14,17)
InChIKeyUGRRDBMQPSGHET-UHFFFAOYSA-N
XLogP0.92
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79830626
1-[2-(4-amino-2-methoxyphenyl)sulfanylethyl]imidazolidin-2-one
CID 79830082
2-(4-amino-2-methoxyphenyl)sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 79827123
2-(4-amino-2-methoxyphenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 79836514
propan-2-yl 2-(4-amino-2-methoxyphenyl)sulfanylacetate
CID 79823041
4-fluoro-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylbenzoic acid
CID 80556369
2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide
CID 79822776
3-methoxy-4-(2-methylidenebutylsulfanyl)aniline
CID 79830261
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide
CID 79829901
1-[2-(4-amino-2-methoxyphenyl)sulfanylethyl]pyrrolidine-2,5-dione
CID 79823482
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9001573
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79830616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one (CID 79822950) is 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one is COc1cc(N)ccc1SCC(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one?
The InChIKey is UGRRDBMQPSGHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-18-9-6-8(13)2-3-10(9)19-7-11(16)15-5-4-14-12(15)17/h2-3,6H,4-5,7,13H2,1H3,(H,14,17).
What are the key properties of 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one?
1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one has a molecular weight of 281.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 79822950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).