(2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide

C8H16N2O2S — CID 89034903

IUPAC(2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide
SMILESC/C=C(\C=C/CS(N)(=O)=O)CCN
InChIInChI=1S/C8H16N2O2S/c1-2-8(5-6-9)4-3-7-13(10,11)12/h2-4H,5-7,9H2,1H3,(H2,10,11,12)/b4-3-,8-2+
InChIKeyGINYNSFFDNICKI-MARJDINYSA-N
MW204.30 g/mol
LogP0.13
Rot. Bonds5

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

(2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide (PubChem CID 89034903) has the molecular formula C8H16N2O2S and a molecular weight of 204.30 g/mol. Its IUPAC name is (2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name(2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide
PubChem CID89034903
Molecular FormulaC8H16N2O2S
Molecular Weight204.30 g/mol
Exact Mass204.09
IUPAC Name(2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide
SMILESC/C=C(\C=C/CS(N)(=O)=O)CCN
InChIInChI=1S/C8H16N2O2S/c1-2-8(5-6-9)4-3-7-13(10,11)12/h2-4H,5-7,9H2,1H3,(H2,10,11,12)/b4-3-,8-2+
InChIKeyGINYNSFFDNICKI-MARJDINYSA-N
XLogP0.13
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.13
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-(5-methylhex-4-enyl)butane-1-sulfonamide
CID 138967449
N-(5-methylhex-4-enyl)methanesulfonamide
CID 166441657
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
ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium
CID 58986370
4-methyl-N-propylcyclohexa-2,4-diene-1-sulfonamide
CID 68052803
N-non-4-enylcyclopropanesulfonamide
CID 69045195
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
(1Z)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide
CID 87160697

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide?
The IUPAC name of (2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide (CID 89034903) is (2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for (2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide?
The canonical SMILES for (2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide is C/C=C(\C=C/CS(N)(=O)=O)CCN.
What is the InChIKey of (2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide?
The InChIKey is GINYNSFFDNICKI-MARJDINYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-8(5-6-9)4-3-7-13(10,11)12/h2-4H,5-7,9H2,1H3,(H2,10,11,12)/b4-3-,8-2+.
What are the key properties of (2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide?
(2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide has a molecular weight of 204.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-(2-aminoethyl)hexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 89034903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).