(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane

C19H42N2O2S — CID 143377797

IUPAC(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane
SMILESC/C=C\C(=C(\N=C\CC)C(C)CC)S(=O)(=O)NC.CC.CC.CC
InChIInChI=1S/C13H24N2O2S.3C2H6/c1-6-9-12(18(16,17)14-5)13(11(4)8-3)15-10-7-2;3*1-2/h6,9-11,14H,7-8H2,1-5H3;3*1-2H3/b9-6-,13-12-,15-10+;;;
InChIKeyDMVVCLVTHKGHJQ-WIPYAYOPSA-N
MW362.62 g/mol
LogP5.93
Rot. Bonds7

About (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane

(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane (PubChem CID 143377797) has the molecular formula C19H42N2O2S and a molecular weight of 362.62 g/mol. Its IUPAC name is (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane.

Molecular Properties

Compound Name(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane
PubChem CID143377797
Molecular FormulaC19H42N2O2S
Molecular Weight362.62 g/mol
Exact Mass362.30
IUPAC Name(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane
SMILESC/C=C\C(=C(\N=C\CC)C(C)CC)S(=O)(=O)NC.CC.CC.CC
InChIInChI=1S/C13H24N2O2S.3C2H6/c1-6-9-12(18(16,17)14-5)13(11(4)8-3)15-10-7-2;3*1-2/h6,9-11,14H,7-8H2,1-5H3;3*1-2H3/b9-6-,13-12-,15-10+;;;
InChIKeyDMVVCLVTHKGHJQ-WIPYAYOPSA-N
XLogP5.93
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.62
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane?
The IUPAC name of (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane (CID 143377797) is (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane.
What is the SMILES notation for (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane?
The canonical SMILES for (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane is C/C=C\C(=C(\N=C\CC)C(C)CC)S(=O)(=O)NC.CC.CC.CC.
What is the InChIKey of (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane?
The InChIKey is DMVVCLVTHKGHJQ-WIPYAYOPSA-N. The full InChI is InChI=1S/C13H24N2O2S.3C2H6/c1-6-9-12(18(16,17)14-5)13(11(4)8-3)15-10-7-2;3*1-2/h6,9-11,14H,7-8H2,1-5H3;3*1-2H3/b9-6-,13-12-,15-10+;;;.
What are the key properties of (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane?
(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane has a molecular weight of 362.62 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane is sourced from PubChem (CID 143377797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).