[9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate

C16H25NO7S — CID 146374436

IUPAC[9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate
SMILESC=CC(=O)OCC(CCCCCCC(=O)NS(C)(=O)=O)OC(=O)C=C
InChIInChI=1S/C16H25NO7S/c1-4-15(19)23-12-13(24-16(20)5-2)10-8-6-7-9-11-14(18)17-25(3,21)22/h4-5,13H,1-2,6-12H2,3H3,(H,17,18)
InChIKeyADAVCDZYVCILCV-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.23
Rot. Bonds13

About [9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate

[9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate (PubChem CID 146374436) has the molecular formula C16H25NO7S and a molecular weight of 375.44 g/mol. Its IUPAC name is [9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate.

Molecular Properties

Compound Name[9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate
PubChem CID146374436
Molecular FormulaC16H25NO7S
Molecular Weight375.44 g/mol
Exact Mass375.14
IUPAC Name[9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate
SMILESC=CC(=O)OCC(CCCCCCC(=O)NS(C)(=O)=O)OC(=O)C=C
InChIInChI=1S/C16H25NO7S/c1-4-15(19)23-12-13(24-16(20)5-2)10-8-6-7-9-11-14(18)17-25(3,21)22/h4-5,13H,1-2,6-12H2,3H3,(H,17,18)
InChIKeyADAVCDZYVCILCV-UHFFFAOYSA-N
XLogP1.23
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
CID 58231919
5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 157055380
(2-prop-2-enoyloxy-6-sulfanylidenehexyl) prop-2-enoate
CID 18431296
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
18-amino-18-oxo-12-prop-2-enoyloxyoctadecanoic acid
CID 87246163
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
tridecan-5-yl prop-2-enoate
CID 141073146
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
pentadecan-4-yl prop-2-enoate
CID 543287
dodecan-3-yl prop-2-enoate
CID 543279

Frequently Asked Questions

What is the IUPAC name of [9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate?
The IUPAC name of [9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate (CID 146374436) is [9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate.
What is the SMILES notation for [9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate?
The canonical SMILES for [9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate is C=CC(=O)OCC(CCCCCCC(=O)NS(C)(=O)=O)OC(=O)C=C.
What is the InChIKey of [9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate?
The InChIKey is ADAVCDZYVCILCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO7S/c1-4-15(19)23-12-13(24-16(20)5-2)10-8-6-7-9-11-14(18)17-25(3,21)22/h4-5,13H,1-2,6-12H2,3H3,(H,17,18).
What are the key properties of [9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate?
[9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate has a molecular weight of 375.44 g/mol, XLogP of 1.23, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate is sourced from PubChem (CID 146374436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).