10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate

C20H32N2O5S — CID 146356521

IUPAC10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCOC(=O)CCC1NC(=S)NC1=O
InChIInChI=1S/C20H32N2O5S/c1-15(2)19(25)27-14-10-8-6-4-3-5-7-9-13-26-17(23)12-11-16-18(24)22-20(28)21-16/h16H,1,3-14H2,2H3,(H2,21,22,24,28)
InChIKeyQUTVSFUFMDLBLD-UHFFFAOYSA-N
MW412.55 g/mol
LogP2.92
Rot. Bonds15

About 10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate

10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate (PubChem CID 146356521) has the molecular formula C20H32N2O5S and a molecular weight of 412.55 g/mol. Its IUPAC name is 10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate
PubChem CID146356521
Molecular FormulaC20H32N2O5S
Molecular Weight412.55 g/mol
Exact Mass412.20
IUPAC Name10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCOC(=O)CCC1NC(=S)NC1=O
InChIInChI=1S/C20H32N2O5S/c1-15(2)19(25)27-14-10-8-6-4-3-5-7-9-13-26-17(23)12-11-16-18(24)22-20(28)21-16/h16H,1,3-14H2,2H3,(H2,21,22,24,28)
InChIKeyQUTVSFUFMDLBLD-UHFFFAOYSA-N
XLogP2.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate
CID 157357273
3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 5374221
6-[3-(5-oxo-4H-thiadiazol-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate
CID 175523917
6-[8-(2-methylprop-2-enoyloxy)octoxy]-6-oxohexanoic acid
CID 155658741
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
CID 141150360
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-(2-methylprop-2-enoyloxy)ethyl 6-(4-chlorobutanoyloxy)hexanoate
CID 102447588
7-methyloct-7-enyl 2-methylprop-2-enoate
CID 54224103

Frequently Asked Questions

What is the IUPAC name of 10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate?
The IUPAC name of 10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate (CID 146356521) is 10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate.
What is the SMILES notation for 10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate?
The canonical SMILES for 10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCOC(=O)CCC1NC(=S)NC1=O.
What is the InChIKey of 10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate?
The InChIKey is QUTVSFUFMDLBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5S/c1-15(2)19(25)27-14-10-8-6-4-3-5-7-9-13-26-17(23)12-11-16-18(24)22-20(28)21-16/h16H,1,3-14H2,2H3,(H2,21,22,24,28).
What are the key properties of 10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate?
10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate has a molecular weight of 412.55 g/mol, XLogP of 2.92, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate is sourced from PubChem (CID 146356521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).