O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine

C10H13NO2S — CID 117302057

IUPACO-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine
SMILESNOCc1ccccc1OC1CSC1
InChIInChI=1S/C10H13NO2S/c11-12-5-8-3-1-2-4-10(8)13-9-6-14-7-9/h1-4,9H,5-7,11H2
InChIKeyZWPXNOWUZHRDEX-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.57
Rot. Bonds4

About O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine

O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine (PubChem CID 117302057) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine
PubChem CID117302057
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameO-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine
SMILESNOCc1ccccc1OC1CSC1
InChIInChI=1S/C10H13NO2S/c11-12-5-8-3-1-2-4-10(8)13-9-6-14-7-9/h1-4,9H,5-7,11H2
InChIKeyZWPXNOWUZHRDEX-UHFFFAOYSA-N
XLogP1.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.57
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-(thietan-3-yloxy)phenyl]methanamine
CID 83484680
O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426921
3-[2-(thian-3-yloxy)phenyl]propan-1-ol
CID 117384484
[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine
CID 117413855
3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349655
3-[2-(thian-3-yloxy)phenyl]propanoic acid
CID 117420330
O-[(2-cyclopropylphenyl)methyl]hydroxylamine
CID 130051867
O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
CID 117296439
1-[2-(thian-4-yloxy)phenyl]propan-2-amine
CID 115005189
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
[1-methyl-5-[2-(thietan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine
CID 117446779
O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426919

Frequently Asked Questions

What is the IUPAC name of O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine (CID 117302057) is O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine is NOCc1ccccc1OC1CSC1.
What is the InChIKey of O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine?
The InChIKey is ZWPXNOWUZHRDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c11-12-5-8-3-1-2-4-10(8)13-9-6-14-7-9/h1-4,9H,5-7,11H2.
What are the key properties of O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine?
O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine has a molecular weight of 211.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117302057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).