ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium

C13H24NO3S2U- — CID 169267046

IUPACethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium
SMILESCC.CCC#CCNC(=O)COCCOC(C)S[S-].[U]
InChIInChI=1S/C11H19NO3S2.C2H6.U/c1-3-4-5-6-12-11(13)9-14-7-8-15-10(2)17-16;1-2;/h10,16H,3,6-9H2,1-2H3,(H,12,13);1-2H3;/p-1
InChIKeyUOXPYNDKMOZWTQ-UHFFFAOYSA-M
MW544.50 g/mol
LogP2.12
Rot. Bonds8

About ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium

ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium (PubChem CID 169267046) has the molecular formula C13H24NO3S2U- and a molecular weight of 544.50 g/mol. Its IUPAC name is ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium.

Molecular Properties

Compound Nameethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium
PubChem CID169267046
Molecular FormulaC13H24NO3S2U-
Molecular Weight544.50 g/mol
Exact Mass544.17
IUPAC Nameethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium
SMILESCC.CCC#CCNC(=O)COCCOC(C)S[S-].[U]
InChIInChI=1S/C11H19NO3S2.C2H6.U/c1-3-4-5-6-12-11(13)9-14-7-8-15-10(2)17-16;1-2;/h10,16H,3,6-9H2,1-2H3,(H,12,13);1-2H3;/p-1
InChIKeyUOXPYNDKMOZWTQ-UHFFFAOYSA-M
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[1-[2-[2-oxo-2-(pent-2-ynylamino)ethoxy]ethoxy]ethyldisulfanyl]methyl]propanamide
CID 166807172
2-[2-[1-(acetamidomethyldisulfanyl)ethoxy]ethoxy]-N-but-2-ynylacetamide
CID 170184384
N-[2-[2-[2-oxo-2-(pent-2-ynylamino)ethoxy]ethoxymethyldisulfanyl]propyl]prop-2-enamide
CID 166807132
2-[2-[1-(methyldisulfanyl)propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide
CID 169267178
ethane;N-pent-2-ynylpropanamide
CID 169175409
ethane;2-[2-[(6-methyl-3,6-dihydro-1,2,4,5-dithiadiazin-3-yl)oxy]ethoxy]-N-pent-2-ynylacetamide
CID 169267101
N-(4-methylpent-2-ynyl)-2-[2-[1-[2-(propan-2-ylamino)ethyldisulfanyl]propoxy]ethoxy]acetamide
CID 162478707
2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide
CID 169266816
3-[2-[2-[2-methyl-1-[2-(propan-2-ylamino)ethyldisulfanyl]propoxy]ethoxy]ethoxy]-N-pent-2-ynylpropanamide
CID 169266997
2-methoxy-N-(4-methylhex-2-ynyl)acetamide
CID 130178489
2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen
CID 169266815
3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen
CID 153366158

Frequently Asked Questions

What is the IUPAC name of ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium?
The IUPAC name of ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium (CID 169267046) is ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium.
What is the SMILES notation for ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium?
The canonical SMILES for ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium is CC.CCC#CCNC(=O)COCCOC(C)S[S-].[U].
What is the InChIKey of ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium?
The InChIKey is UOXPYNDKMOZWTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19NO3S2.C2H6.U/c1-3-4-5-6-12-11(13)9-14-7-8-15-10(2)17-16;1-2;/h10,16H,3,6-9H2,1-2H3,(H,12,13);1-2H3;/p-1.
What are the key properties of ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium?
ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium has a molecular weight of 544.50 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-pent-2-ynyl-2-[2-(1-sulfidosulfanylethoxy)ethoxy]acetamide;uranium is sourced from PubChem (CID 169267046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).