O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine

C13H19NO2S — CID 117386767

IUPACO-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine
SMILESNOCCc1ccc(OC2CCSCC2)cc1
InChIInChI=1S/C13H19NO2S/c14-15-8-5-11-1-3-12(4-2-11)16-13-6-9-17-10-7-13/h1-4,13H,5-10,14H2
InChIKeyPUANHLHWYYJUCZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.39
Rot. Bonds5

About O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine

O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine (PubChem CID 117386767) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine
PubChem CID117386767
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameO-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine
SMILESNOCCc1ccc(OC2CCSCC2)cc1
InChIInChI=1S/C13H19NO2S/c14-15-8-5-11-1-3-12(4-2-11)16-13-6-9-17-10-7-13/h1-4,13H,5-10,14H2
InChIKeyPUANHLHWYYJUCZ-UHFFFAOYSA-N
XLogP2.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.39
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

4-[4-(thian-4-yloxy)phenyl]butanoic acid
CID 117450375
4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine
CID 117471005
4-(4-bromophenoxy)thiane
CID 134090229
4-(4-methylsulfanylphenoxy)thiane
CID 134106830
1-cyclobutyloxy-4-propylbenzene
CID 178141621
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
CID 117445004
2-[4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117384499
4-[4-[(E)-2-phenylethenyl]phenoxy]thiane
CID 134126076
4-[4-(thietan-3-yloxy)phenyl]butan-1-amine
CID 117347849
O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine
CID 117299468
1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117413869

Frequently Asked Questions

What is the IUPAC name of O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine (CID 117386767) is O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine is NOCCc1ccc(OC2CCSCC2)cc1.
What is the InChIKey of O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine?
The InChIKey is PUANHLHWYYJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c14-15-8-5-11-1-3-12(4-2-11)16-13-6-9-17-10-7-13/h1-4,13H,5-10,14H2.
What are the key properties of O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine?
O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine has a molecular weight of 253.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117386767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).