N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine

C18H19NOS2 — CID 14696269

IUPACN-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine
SMILESCN(O)CCCc1ccc(/C=C/c2cc3ccccc3s2)s1
InChIInChI=1S/C18H19NOS2/c1-19(20)12-4-6-15-8-9-16(21-15)10-11-17-13-14-5-2-3-7-18(14)22-17/h2-3,5,7-11,13,20H,4,6,12H2,1H3/b11-10+
InChIKeyOYNKBGDWDJYWMX-ZHACJKMWSA-N
MW329.49 g/mol
LogP5.39
Rot. Bonds6

About N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine

N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine (PubChem CID 14696269) has the molecular formula C18H19NOS2 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine
PubChem CID14696269
Molecular FormulaC18H19NOS2
Molecular Weight329.49 g/mol
Exact Mass329.09
IUPAC NameN-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine
SMILESCN(O)CCCc1ccc(/C=C/c2cc3ccccc3s2)s1
InChIInChI=1S/C18H19NOS2/c1-19(20)12-4-6-15-8-9-16(21-15)10-11-17-13-14-5-2-3-7-18(14)22-17/h2-3,5,7-11,13,20H,4,6,12H2,1H3/b11-10+
InChIKeyOYNKBGDWDJYWMX-ZHACJKMWSA-N
XLogP5.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-[5-(3-bromopropyl)thiophen-2-yl]ethenyl]-1-benzothiophene
CID 14696268
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene
CID 14696263
ethyl 5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophene-2-carboxylate
CID 14696267
3-(1-benzothiophen-2-yl)propan-1-ol;ethane
CID 143234864
2-butyl-1-benzothiophene
CID 70061043
2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene
CID 71414689
2-[(E)-pent-1-enyl]-1-benzothiophene
CID 56648426
methyl 4-(1-benzothiophen-2-yl)but-3-enoate
CID 170501008
2-buta-1,3-dienyl-1-benzothiophene
CID 150239976
1-[4-(1-benzothiophen-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 23798209
3-(1-benzothiophen-2-yl)prop-2-enamide
CID 169481889
4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine
CID 5160129

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine?
The IUPAC name of N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine (CID 14696269) is N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine?
The canonical SMILES for N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine is CN(O)CCCc1ccc(/C=C/c2cc3ccccc3s2)s1.
What is the InChIKey of N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine?
The InChIKey is OYNKBGDWDJYWMX-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H19NOS2/c1-19(20)12-4-6-15-8-9-16(21-15)10-11-17-13-14-5-2-3-7-18(14)22-17/h2-3,5,7-11,13,20H,4,6,12H2,1H3/b11-10+.
What are the key properties of N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine?
N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine has a molecular weight of 329.49 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine is sourced from PubChem (CID 14696269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).