N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene

C15H23NO2S — CID 175107138

IUPACN-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene
SMILESC=CC=C(C)S(=O)(=O)c1ccccc1.CCNCC
InChIInChI=1S/C11H12O2S.C4H11N/c1-3-7-10(2)14(12,13)11-8-5-4-6-9-11;1-3-5-4-2/h3-9H,1H2,2H3;5H,3-4H2,1-2H3
InChIKeyIOHLGEJNNROCPN-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.17
Rot. Bonds5

About N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene

N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene (PubChem CID 175107138) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene.

Molecular Properties

Compound NameN-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene
PubChem CID175107138
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene
SMILESC=CC=C(C)S(=O)(=O)c1ccccc1.CCNCC
InChIInChI=1S/C11H12O2S.C4H11N/c1-3-7-10(2)14(12,13)11-8-5-4-6-9-11;1-3-5-4-2/h3-9H,1H2,2H3;5H,3-4H2,1-2H3
InChIKeyIOHLGEJNNROCPN-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-2-en-2-ylsulfonylbenzene
CID 85377514
(2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid
CID 90286525
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
(2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene
CID 164925034
N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
CID 142835485
1-(benzenesulfonyl)-N-ethenylethenamine
CID 67900326
[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene
CID 134299911
buta-2,3-dien-2-ylsulfonylbenzene
CID 11830311
benzenesulfonic acid;ethenamine
CID 175283513
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]sulfonyl-2-methylbenzene
CID 142168193
bis[(3E)-hexa-1,3,5-trien-3-yl]-methyl-phenyl-λ4-sulfane
CID 142310236
[(3E)-3-(benzenesulfonyl)-6-methylhepta-3,5-dienyl]benzene
CID 10042067

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene?
The IUPAC name of N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene (CID 175107138) is N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene.
What is the SMILES notation for N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene?
The canonical SMILES for N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene is C=CC=C(C)S(=O)(=O)c1ccccc1.CCNCC.
What is the InChIKey of N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene?
The InChIKey is IOHLGEJNNROCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S.C4H11N/c1-3-7-10(2)14(12,13)11-8-5-4-6-9-11;1-3-5-4-2/h3-9H,1H2,2H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene?
N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene has a molecular weight of 281.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene is sourced from PubChem (CID 175107138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).