(2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide

C9H18N2O2S — CID 89154006

IUPAC(2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide
SMILESC=CCC(/C=C\CS(N)(=O)=O)CCN
InChIInChI=1S/C9H18N2O2S/c1-2-4-9(6-7-10)5-3-8-14(11,12)13/h2-3,5,9H,1,4,6-8,10H2,(H2,11,12,13)/b5-3-
InChIKeyPTSQUACAIGEWOD-HYXAFXHYSA-N
MW218.32 g/mol
LogP0.37
Rot. Bonds7

About (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide

(2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide (PubChem CID 89154006) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide.

Molecular Properties

Compound Name(2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide
PubChem CID89154006
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide
SMILESC=CCC(/C=C\CS(N)(=O)=O)CCN
InChIInChI=1S/C9H18N2O2S/c1-2-4-9(6-7-10)5-3-8-14(11,12)13/h2-3,5,9H,1,4,6-8,10H2,(H2,11,12,13)/b5-3-
InChIKeyPTSQUACAIGEWOD-HYXAFXHYSA-N
XLogP0.37
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide?
The IUPAC name of (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide (CID 89154006) is (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide.
What is the SMILES notation for (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide?
The canonical SMILES for (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide is C=CCC(/C=C\CS(N)(=O)=O)CCN.
What is the InChIKey of (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide?
The InChIKey is PTSQUACAIGEWOD-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-4-9(6-7-10)5-3-8-14(11,12)13/h2-3,5,9H,1,4,6-8,10H2,(H2,11,12,13)/b5-3-.
What are the key properties of (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide?
(2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide is sourced from PubChem (CID 89154006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).