(E)-N,N-diethyloct-2-ene-1-sulfonamide

C12H25NO2S — CID 121010010

IUPAC(E)-N,N-diethyloct-2-ene-1-sulfonamide
SMILESCCCCC/C=C/CS(=O)(=O)N(CC)CC
InChIInChI=1S/C12H25NO2S/c1-4-7-8-9-10-11-12-16(14,15)13(5-2)6-3/h10-11H,4-9,12H2,1-3H3/b11-10+
InChIKeyQPLMVSCDLYUDTP-ZHACJKMWSA-N
MW247.40 g/mol
LogP2.79
Rot. Bonds9

About (E)-N,N-diethyloct-2-ene-1-sulfonamide

(E)-N,N-diethyloct-2-ene-1-sulfonamide (PubChem CID 121010010) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is (E)-N,N-diethyloct-2-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N,N-diethyloct-2-ene-1-sulfonamide
PubChem CID121010010
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name(E)-N,N-diethyloct-2-ene-1-sulfonamide
SMILESCCCCC/C=C/CS(=O)(=O)N(CC)CC
InChIInChI=1S/C12H25NO2S/c1-4-7-8-9-10-11-12-16(14,15)13(5-2)6-3/h10-11H,4-9,12H2,1-3H3/b11-10+
InChIKeyQPLMVSCDLYUDTP-ZHACJKMWSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium oct-2-ene-1-sulfonate
CID 140570664
(Z)-tridec-2-ene-1-sulfonic acid
CID 139805956
nonadec-2-ene-1-sulfonic acid
CID 54546820
sodium (E)-tritriacont-2-ene-1-sulfonate
CID 102060459
(E)-octacos-2-ene-1-sulfonic acid
CID 90188027
(E)-nonacos-10-ene
CID 14367300
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyloct-2-ene-1-sulfonamide?
The IUPAC name of (E)-N,N-diethyloct-2-ene-1-sulfonamide (CID 121010010) is (E)-N,N-diethyloct-2-ene-1-sulfonamide.
What is the SMILES notation for (E)-N,N-diethyloct-2-ene-1-sulfonamide?
The canonical SMILES for (E)-N,N-diethyloct-2-ene-1-sulfonamide is CCCCC/C=C/CS(=O)(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyloct-2-ene-1-sulfonamide?
The InChIKey is QPLMVSCDLYUDTP-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-7-8-9-10-11-12-16(14,15)13(5-2)6-3/h10-11H,4-9,12H2,1-3H3/b11-10+.
What are the key properties of (E)-N,N-diethyloct-2-ene-1-sulfonamide?
(E)-N,N-diethyloct-2-ene-1-sulfonamide has a molecular weight of 247.40 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyloct-2-ene-1-sulfonamide is sourced from PubChem (CID 121010010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).