9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide

C13H24N2O2S — CID 91456208

IUPAC9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide
SMILESC=C(C=CC=C(C)S(=O)(=O)NCCC)CCCN
InChIInChI=1S/C13H24N2O2S/c1-4-11-15-18(16,17)13(3)9-5-7-12(2)8-6-10-14/h5,7,9,15H,2,4,6,8,10-11,14H2,1,3H3
InChIKeyYIWQBUPDGKSKKJ-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.07
Rot. Bonds9

About 9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide

9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide (PubChem CID 91456208) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide.

Molecular Properties

Compound Name9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide
PubChem CID91456208
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide
SMILESC=C(C=CC=C(C)S(=O)(=O)NCCC)CCCN
InChIInChI=1S/C13H24N2O2S/c1-4-11-15-18(16,17)13(3)9-5-7-12(2)8-6-10-14/h5,7,9,15H,2,4,6,8,10-11,14H2,1,3H3
InChIKeyYIWQBUPDGKSKKJ-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.07
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

N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide
CID 143860161
N-[(4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 21034842
N-[(3S,4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 58597073
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropane-2-sulfonamide
CID 60069844
4-methyl-N-propylcyclohexa-2,4-diene-1-sulfonamide
CID 68052803
N-butylcyclohexa-2,4-diene-1-sulfonamide
CID 69775508
4-(2-Aminoethyl)cyclohexa-2,4-diene-1-sulfonamide
CID 70334327
N-(4-methylhepta-4,6-dien-3-yl)butane-1-sulfonamide
CID 73735614
(3Z,5Z)-4-(2-aminoethyl)hepta-3,5-diene-1-sulfonamide
CID 88274862
(1E,3Z,5Z)-4-(2-aminoethyl)hepta-1,3,5-triene-1-sulfonamide
CID 88275059
(2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide
CID 89034903
(3E,6S)-6-methyl-8-(methylamino)octa-1,3-diene-3-sulfonamide
CID 89073975

Frequently Asked Questions

What is the IUPAC name of 9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide?
The IUPAC name of 9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide (CID 91456208) is 9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide.
What is the SMILES notation for 9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide?
The canonical SMILES for 9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide is C=C(C=CC=C(C)S(=O)(=O)NCCC)CCCN.
What is the InChIKey of 9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide?
The InChIKey is YIWQBUPDGKSKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-4-11-15-18(16,17)13(3)9-5-7-12(2)8-6-10-14/h5,7,9,15H,2,4,6,8,10-11,14H2,1,3H3.
What are the key properties of 9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide?
9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide has a molecular weight of 272.41 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide is sourced from PubChem (CID 91456208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).