1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione

C20H27N3O6S — CID 153447198

IUPAC1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCOC2CCN(S(=O)(=O)c3cccc(OCC4CC4)c3)C2)C(=O)N1
InChIInChI=1S/C20H27N3O6S/c24-19-13-22(20(25)21-19)8-2-10-28-17-7-9-23(12-17)30(26,27)18-4-1-3-16(11-18)29-14-15-5-6-15/h1,3-4,11,15,17H,2,5-10,12-14H2,(H,21,24,25)
InChIKeyIQCNFPMHHDHIRP-UHFFFAOYSA-N
MW437.52 g/mol
LogP1.20
Rot. Bonds10

About 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione

1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione (PubChem CID 153447198) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione
PubChem CID153447198
Molecular FormulaC20H27N3O6S
Molecular Weight437.52 g/mol
Exact Mass437.16
IUPAC Name1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCOC2CCN(S(=O)(=O)c3cccc(OCC4CC4)c3)C2)C(=O)N1
InChIInChI=1S/C20H27N3O6S/c24-19-13-22(20(25)21-19)8-2-10-28-17-7-9-23(12-17)30(26,27)18-4-1-3-16(11-18)29-14-15-5-6-15/h1,3-4,11,15,17H,2,5-10,12-14H2,(H,21,24,25)
InChIKeyIQCNFPMHHDHIRP-UHFFFAOYSA-N
XLogP1.20
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide
CID 134542844
1-[2-[4-[3-(cyclopropylmethoxy)phenyl]sulfonylbutoxy]ethyl]-1,3-diazinane-2,4-dione
CID 157454422
3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide
CID 134553638
1-[3-(cyclopropylmethoxy)phenyl]sulfanylpiperidine;1-(3-hydroxypropyl)imidazolidine-2,4-dione
CID 162531923
3-(2,2-difluoroethoxy)-N-[6-(2,4-dioxoimidazolidin-1-yl)hexyl]benzenesulfonamide
CID 146230379
3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine
CID 121197743
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
CID 129357025
1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 158116112
1-(4-tert-butylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
CID 121197737
N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370192
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
3-[1-[3-(methoxymethyl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992775

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione (CID 153447198) is 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione is O=C1CN(CCCOC2CCN(S(=O)(=O)c3cccc(OCC4CC4)c3)C2)C(=O)N1.
What is the InChIKey of 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione?
The InChIKey is IQCNFPMHHDHIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S/c24-19-13-22(20(25)21-19)8-2-10-28-17-7-9-23(12-17)30(26,27)18-4-1-3-16(11-18)29-14-15-5-6-15/h1,3-4,11,15,17H,2,5-10,12-14H2,(H,21,24,25).
What are the key properties of 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione?
1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione has a molecular weight of 437.52 g/mol, XLogP of 1.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 153447198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).