5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide

C14H28N2O2S — CID 123754740

IUPAC5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide
SMILESCCNC(CC(C)C)C(C=C(C)S(N)(=O)=O)=C(C)C
InChIInChI=1S/C14H28N2O2S/c1-7-16-14(8-10(2)3)13(11(4)5)9-12(6)19(15,17)18/h9-10,14,16H,7-8H2,1-6H3,(H2,15,17,18)
InChIKeyZPPDTEDIESNOQU-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.54
Rot. Bonds7

About 5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide

5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide (PubChem CID 123754740) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide
PubChem CID123754740
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide
SMILESCCNC(CC(C)C)C(C=C(C)S(N)(=O)=O)=C(C)C
InChIInChI=1S/C14H28N2O2S/c1-7-16-14(8-10(2)3)13(11(4)5)9-12(6)19(15,17)18/h9-10,14,16H,7-8H2,1-6H3,(H2,15,17,18)
InChIKeyZPPDTEDIESNOQU-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-N-methyl-3-(methylamino)-4-[(Z)-prop-1-enyl]octa-4,7-diene-2-sulfonamide
CID 137506030
4-Propyl-4-(propylamino)cyclohexa-1,5-diene-1-sulfonamide
CID 152780338
4-Butyl-4-(butylamino)cyclohexa-1,5-diene-1-sulfonamide
CID 164165792
(3E,5Z)-2-[(2S)-piperidin-2-yl]hepta-1,3,5-triene-4-sulfonamide
CID 167033104
N-(cyclohex-3-en-1-ylmethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 61950597
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide
CID 120721535

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide?
The IUPAC name of 5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide (CID 123754740) is 5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide.
What is the SMILES notation for 5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide?
The canonical SMILES for 5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide is CCNC(CC(C)C)C(C=C(C)S(N)(=O)=O)=C(C)C.
What is the InChIKey of 5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide?
The InChIKey is ZPPDTEDIESNOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-7-16-14(8-10(2)3)13(11(4)5)9-12(6)19(15,17)18/h9-10,14,16H,7-8H2,1-6H3,(H2,15,17,18).
What are the key properties of 5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide?
5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide has a molecular weight of 288.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-7-methyl-4-propan-2-ylideneoct-2-ene-2-sulfonamide is sourced from PubChem (CID 123754740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).