(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine

C15H17NO2S — CID 115495566

IUPAC(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCCc2cccs2)cc1)=N/O
InChIInChI=1S/C15H17NO2S/c1-12(16-17)11-13-4-6-14(7-5-13)18-9-8-15-3-2-10-19-15/h2-7,10,17H,8-9,11H2,1H3/b16-12-
InChIKeyINBWCDZDZPKQAC-VBKFSLOCSA-N
MW275.37 g/mol
LogP3.76
Rot. Bonds6

About (NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine

(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine (PubChem CID 115495566) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine
PubChem CID115495566
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCCc2cccs2)cc1)=N/O
InChIInChI=1S/C15H17NO2S/c1-12(16-17)11-13-4-6-14(7-5-13)18-9-8-15-3-2-10-19-15/h2-7,10,17H,8-9,11H2,1H3/b16-12-
InChIKeyINBWCDZDZPKQAC-VBKFSLOCSA-N
XLogP3.76
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(Octyloxy)phenyl]thiophene
CID 18448197
(NE)-N-[(E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enylidene]hydroxylamine
CID 12372061
(NE)-N-[[3-(4-methoxyphenyl)thiophen-2-yl]methylidene]hydroxylamine
CID 142575047
2-(4-Methoxyphenyl)thiophene
CID 2769425
(NZ)-N-[2-phenylsulfanyl-1-(3-propan-2-yloxyphenyl)ethylidene]hydroxylamine
CID 71450022
(NZ)-N-[2-phenylsulfanyl-1-(3-propoxyphenyl)ethylidene]hydroxylamine
CID 71453661
(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile
CID 12037395
2-(4-Ethoxyphenyl)thiophene
CID 18387525
2-(4-Isopropoxyphenyl)-thiophene
CID 18387785
3-(4-Octylphenoxy)thiophene
CID 70192154
4-((((4-Methoxyphenyl)(2-thienyl)methylene)amino)oxy)butanoic acid
CID 6368226
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-thiophen-2-ylmethanimine
CID 122177272

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine (CID 115495566) is (NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine is C/C(Cc1ccc(OCCc2cccs2)cc1)=N/O.
What is the InChIKey of (NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine?
The InChIKey is INBWCDZDZPKQAC-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12(16-17)11-13-4-6-14(7-5-13)18-9-8-15-3-2-10-19-15/h2-7,10,17H,8-9,11H2,1H3/b16-12-.
What are the key properties of (NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine has a molecular weight of 275.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 115495566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).