(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide

C12H18N2O2S — CID 55100588

IUPAC(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
SMILESCCNCCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-2-13-9-10-14-17(15,16)11-8-12-6-4-3-5-7-12/h3-8,11,13-14H,2,9-10H2,1H3/b11-8+
InChIKeyRFVRMRCQUYOKHJ-DHZHZOJOSA-N
MW254.36 g/mol
LogP1.19
Rot. Bonds7

About (E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide

(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide (PubChem CID 55100588) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is (E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
PubChem CID55100588
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
SMILESCCNCCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-2-13-9-10-14-17(15,16)11-8-12-6-4-3-5-7-12/h3-8,11,13-14H,2,9-10H2,1H3/b11-8+
InChIKeyRFVRMRCQUYOKHJ-DHZHZOJOSA-N
XLogP1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
(E)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-phenylethenesulfonamide
CID 122325531
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
(E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide
CID 47121888
(E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide
CID 113317403
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
(E)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylethenesulfonamide
CID 103834908
1-ethyl-3-[(E)-2-phenylethenyl]sulfonylthiourea
CID 121224456
(E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide
CID 75407835
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
(E)-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)ethenesulfonamide
CID 8823993

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide (CID 55100588) is (E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide is CCNCCNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide?
The InChIKey is RFVRMRCQUYOKHJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-13-9-10-14-17(15,16)11-8-12-6-4-3-5-7-12/h3-8,11,13-14H,2,9-10H2,1H3/b11-8+.
What are the key properties of (E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide?
(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide has a molecular weight of 254.36 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 55100588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).