3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen

C11H19NO3S — CID 156816521

IUPAC3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen
SMILESCCS(=O)(=O)NC(=O)CCC1=CCCC=C1.[H][H]
InChIInChI=1S/C11H17NO3S.H2/c1-2-16(14,15)12-11(13)9-8-10-6-4-3-5-7-10;/h4,6-7H,2-3,5,8-9H2,1H3,(H,12,13);1H
InChIKeyXWAWDRXWCJGVFV-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.75
Rot. Bonds5

About 3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen

3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen (PubChem CID 156816521) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen
PubChem CID156816521
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen
SMILESCCS(=O)(=O)NC(=O)CCC1=CCCC=C1.[H][H]
InChIInChI=1S/C11H17NO3S.H2/c1-2-16(14,15)12-11(13)9-8-10-6-4-3-5-7-10;/h4,6-7H,2-3,5,8-9H2,1H3,(H,12,13);1H
InChIKeyXWAWDRXWCJGVFV-UHFFFAOYSA-N
XLogP1.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen (CID 156816521) is 3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen is CCS(=O)(=O)NC(=O)CCC1=CCCC=C1.[H][H].
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen?
The InChIKey is XWAWDRXWCJGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S.H2/c1-2-16(14,15)12-11(13)9-8-10-6-4-3-5-7-10;/h4,6-7H,2-3,5,8-9H2,1H3,(H,12,13);1H.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen?
3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen has a molecular weight of 245.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-N-ethylsulfonylpropanamide;molecular hydrogen is sourced from PubChem (CID 156816521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).