N-penta-1,3-dien-2-ylethanesulfonamide

C7H13NO2S — CID 90943645

IUPACN-penta-1,3-dien-2-ylethanesulfonamide
SMILESC=C(C=CC)NS(=O)(=O)CC
InChIInChI=1S/C7H13NO2S/c1-4-6-7(3)8-11(9,10)5-2/h4,6,8H,3,5H2,1-2H3
InChIKeyKOHWCHDQLUBHEG-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.02
Rot. Bonds4

About N-penta-1,3-dien-2-ylethanesulfonamide

N-penta-1,3-dien-2-ylethanesulfonamide (PubChem CID 90943645) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-penta-1,3-dien-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-penta-1,3-dien-2-ylethanesulfonamide
PubChem CID90943645
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-penta-1,3-dien-2-ylethanesulfonamide
SMILESC=C(C=CC)NS(=O)(=O)CC
InChIInChI=1S/C7H13NO2S/c1-4-6-7(3)8-11(9,10)5-2/h4,6,8H,3,5H2,1-2H3
InChIKeyKOHWCHDQLUBHEG-UHFFFAOYSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-penta-1,3-dien-2-ylethanesulfonamide?
The IUPAC name of N-penta-1,3-dien-2-ylethanesulfonamide (CID 90943645) is N-penta-1,3-dien-2-ylethanesulfonamide.
What is the SMILES notation for N-penta-1,3-dien-2-ylethanesulfonamide?
The canonical SMILES for N-penta-1,3-dien-2-ylethanesulfonamide is C=C(C=CC)NS(=O)(=O)CC.
What is the InChIKey of N-penta-1,3-dien-2-ylethanesulfonamide?
The InChIKey is KOHWCHDQLUBHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-4-6-7(3)8-11(9,10)5-2/h4,6,8H,3,5H2,1-2H3.
What are the key properties of N-penta-1,3-dien-2-ylethanesulfonamide?
N-penta-1,3-dien-2-ylethanesulfonamide has a molecular weight of 175.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-1,3-dien-2-ylethanesulfonamide is sourced from PubChem (CID 90943645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).