[(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate

C11H18N2O4S — CID 176960455

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate
SMILESC=C/C=C(\C=C)COC(=O)NS(=O)(=O)NC(C)C
InChIInChI=1S/C11H18N2O4S/c1-5-7-10(6-2)8-17-11(14)13-18(15,16)12-9(3)4/h5-7,9,12H,1-2,8H2,3-4H3,(H,13,14)/b10-7+
InChIKeyRJYHNPUABYQTHO-JXMROGBWSA-N
MW274.34 g/mol
LogP1.25
Rot. Bonds7

About [(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate

[(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate (PubChem CID 176960455) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate
PubChem CID176960455
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate
SMILESC=C/C=C(\C=C)COC(=O)NS(=O)(=O)NC(C)C
InChIInChI=1S/C11H18N2O4S/c1-5-7-10(6-2)8-17-11(14)13-18(15,16)12-9(3)4/h5-7,9,12H,1-2,8H2,3-4H3,(H,13,14)/b10-7+
InChIKeyRJYHNPUABYQTHO-JXMROGBWSA-N
XLogP1.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
[(2E)-2-ethenylpenta-2,4-dienyl] 3-methylbutanoate
CID 164591650
[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate
CID 177245835
[(Z)-2-ethenyl-4-hydroxybut-2-enyl] N-propan-2-ylcarbamate
CID 58805113
5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methyl-5-oxopentanoic acid
CID 142538688
tert-butyl 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]carbonylamino]-2-methyl-4-sulfanylbutanoate
CID 164563423
[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate
CID 143244884
ethane;5-O-[(2E)-2-ethenylpenta-2,4-dienyl] 1-O-methyl pentanedioate;propan-2-yl carbamate
CID 144950441
tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
CID 176960460
ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
CID 114466677
[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate
CID 142539752
[(2E)-2-ethenylpenta-2,4-dienyl] 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 143016192

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate (CID 176960455) is [(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate is C=C/C=C(\C=C)COC(=O)NS(=O)(=O)NC(C)C.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate?
The InChIKey is RJYHNPUABYQTHO-JXMROGBWSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-5-7-10(6-2)8-17-11(14)13-18(15,16)12-9(3)4/h5-7,9,12H,1-2,8H2,3-4H3,(H,13,14)/b10-7+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate?
[(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate has a molecular weight of 274.34 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate is sourced from PubChem (CID 176960455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).