1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium

C19H30Cl2N3O6RuS2- — CID 59574880

IUPAC1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium
SMILESCCN(CC)C(=O)C(C)Oc1ccccc1C=[Ru](Cl)Cl.CS(=O)(=O)N1[CH-]N(S(C)(=O)=O)CC1
InChIInChI=1S/C14H19NO2.C5H11N2O4S2.2ClH.Ru/c1-5-15(6-2)14(16)12(4)17-13-10-8-7-9-11(13)3;1-12(8,9)6-3-4-7(5-6)13(2,10)11;;;/h3,7-10,12H,5-6H2,1-2,4H3;5H,3-4H2,1-2H3;2*1H;/q;-1;;;+2/p-2
InChIKeyOFNXHWQAQBNSLY-UHFFFAOYSA-L
MW632.57 g/mol
LogP2.04
Rot. Bonds8

About 1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium

1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium (PubChem CID 59574880) has the molecular formula C19H30Cl2N3O6RuS2- and a molecular weight of 632.57 g/mol. Its IUPAC name is 1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium.

Molecular Properties

Compound Name1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium
PubChem CID59574880
Molecular FormulaC19H30Cl2N3O6RuS2-
Molecular Weight632.57 g/mol
Exact Mass632.00
IUPAC Name1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium
SMILESCCN(CC)C(=O)C(C)Oc1ccccc1C=[Ru](Cl)Cl.CS(=O)(=O)N1[CH-]N(S(C)(=O)=O)CC1
InChIInChI=1S/C14H19NO2.C5H11N2O4S2.2ClH.Ru/c1-5-15(6-2)14(16)12(4)17-13-10-8-7-9-11(13)3;1-12(8,9)6-3-4-7(5-6)13(2,10)11;;;/h3,7-10,12H,5-6H2,1-2,4H3;5H,3-4H2,1-2H3;2*1H;/q;-1;;;+2/p-2
InChIKeyOFNXHWQAQBNSLY-UHFFFAOYSA-L
XLogP2.04
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.57
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium
CID 157139251
carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78930736
2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide
CID 43277371
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 134037927
N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 65453882
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846
1-benzyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153489728
3-[1-(diethylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid
CID 63338401
N,N-diethyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]propanamide
CID 63067505
3-bromo-4-[1-(diethylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82914083

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium?
The IUPAC name of 1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium (CID 59574880) is 1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium.
What is the SMILES notation for 1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium?
The canonical SMILES for 1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium is CCN(CC)C(=O)C(C)Oc1ccccc1C=[Ru](Cl)Cl.CS(=O)(=O)N1[CH-]N(S(C)(=O)=O)CC1.
What is the InChIKey of 1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium?
The InChIKey is OFNXHWQAQBNSLY-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H19NO2.C5H11N2O4S2.2ClH.Ru/c1-5-15(6-2)14(16)12(4)17-13-10-8-7-9-11(13)3;1-12(8,9)6-3-4-7(5-6)13(2,10)11;;;/h3,7-10,12H,5-6H2,1-2,4H3;5H,3-4H2,1-2H3;2*1H;/q;-1;;;+2/p-2.
What are the key properties of 1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium?
1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium has a molecular weight of 632.57 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methylsulfonyl)imidazolidin-2-ide;dichloro-[[2-[1-(diethylamino)-1-oxopropan-2-yl]oxyphenyl]methylidene]ruthenium is sourced from PubChem (CID 59574880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).