N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide

C8H14N2O2S — CID 90732079

IUPACN-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide
SMILESC=CC=C(C=C)S(=O)(=O)NCCN
InChIInChI=1S/C8H14N2O2S/c1-3-5-8(4-2)13(11,12)10-7-6-9/h3-5,10H,1-2,6-7,9H2
InChIKeyIPHJMABRSFGJMY-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.12
Rot. Bonds6

About N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide

N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide (PubChem CID 90732079) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide
PubChem CID90732079
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide
SMILESC=CC=C(C=C)S(=O)(=O)NCCN
InChIInChI=1S/C8H14N2O2S/c1-3-5-8(4-2)13(11,12)10-7-6-9/h3-5,10H,1-2,6-7,9H2
InChIKeyIPHJMABRSFGJMY-UHFFFAOYSA-N
XLogP0.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.12
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

(3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide
CID 88992621
(1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide
CID 89143646
(2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide
CID 89342954
N-methylhepta-1,3,5-triene-4-sulfonamide
CID 123396879
(2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide
CID 126537620
(2E,4Z)-N-methylhepta-2,4,6-triene-3-sulfonamide
CID 129051352
(2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide
CID 130391754
(3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide
CID 134482835
(3E,5Z)-N-methylocta-1,3,5,7-tetraene-4-sulfonamide
CID 138648426
(2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide
CID 146342704
N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate
CID 163246256
ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide
CID 164860197

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide?
The IUPAC name of N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide (CID 90732079) is N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide is C=CC=C(C=C)S(=O)(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide?
The InChIKey is IPHJMABRSFGJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-5-8(4-2)13(11,12)10-7-6-9/h3-5,10H,1-2,6-7,9H2.
What are the key properties of N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide?
N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide is sourced from PubChem (CID 90732079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).