[(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium

C15H18ClN2OS+ — CID 135597908

IUPAC[(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](C/N=C/c1cc(Cl)ccc1O)c1cccs1
InChIInChI=1S/C15H17ClN2OS/c1-18(2)13(15-4-3-7-20-15)10-17-9-11-8-12(16)5-6-14(11)19/h3-9,13,19H,10H2,1-2H3/p+1/b17-9+/t13-/m1/s1
InChIKeyVFWYJWICIKKSCB-LFMVTYOGSA-O
MW309.84 g/mol
LogP2.41
Rot. Bonds5

About [(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium

[(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium (PubChem CID 135597908) has the molecular formula C15H18ClN2OS+ and a molecular weight of 309.84 g/mol. Its IUPAC name is [(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
PubChem CID135597908
Molecular FormulaC15H18ClN2OS+
Molecular Weight309.84 g/mol
Exact Mass309.08
IUPAC Name[(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](C/N=C/c1cc(Cl)ccc1O)c1cccs1
InChIInChI=1S/C15H17ClN2OS/c1-18(2)13(15-4-3-7-20-15)10-17-9-11-8-12(16)5-6-14(11)19/h3-9,13,19H,10H2,1-2H3/p+1/b17-9+/t13-/m1/s1
InChIKeyVFWYJWICIKKSCB-LFMVTYOGSA-O
XLogP2.41
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(1S)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597912
4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
CID 136703874
4-chloro-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]iminomethyl]phenol
CID 135758067
2,4-dichloro-6-[[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758215
2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135597898
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758319
[(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium
CID 135757967
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135596533
[(1S)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 135758009
4-chloro-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135758278
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 728473

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium (CID 135597908) is [(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium is C[NH+](C)[C@H](C/N=C/c1cc(Cl)ccc1O)c1cccs1.
What is the InChIKey of [(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium?
The InChIKey is VFWYJWICIKKSCB-LFMVTYOGSA-O. The full InChI is InChI=1S/C15H17ClN2OS/c1-18(2)13(15-4-3-7-20-15)10-17-9-11-8-12(16)5-6-14(11)19/h3-9,13,19H,10H2,1-2H3/p+1/b17-9+/t13-/m1/s1.
What are the key properties of [(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium?
[(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium has a molecular weight of 309.84 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium is sourced from PubChem (CID 135597908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).