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

C13H19NO3S — CID 117426921

IUPACO-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
SMILESCOc1c(CON)cccc1OC1CCCSC1
InChIInChI=1S/C13H19NO3S/c1-15-13-10(8-16-14)4-2-6-12(13)17-11-5-3-7-18-9-11/h2,4,6,11H,3,5,7-9,14H2,1H3
InChIKeyZMZTXZVROKSDHQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.36
Rot. Bonds5

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

O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine (PubChem CID 117426921) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
PubChem CID117426921
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameO-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
SMILESCOc1c(CON)cccc1OC1CCCSC1
InChIInChI=1S/C13H19NO3S/c1-15-13-10(8-16-14)4-2-6-12(13)17-11-5-3-7-18-9-11/h2,4,6,11H,3,5,7-9,14H2,1H3
InChIKeyZMZTXZVROKSDHQ-UHFFFAOYSA-N
XLogP2.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-methoxy-3-(thian-3-yloxy)phenyl]butanoic acid
CID 117495420
O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426919
2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117492500
O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117302057
O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine
CID 117455774
4-[2-methoxy-3-(thiolan-3-yloxy)phenyl]butanoic acid
CID 117477685
(E)-3-[2-methoxy-3-(thiolan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117418040
3-methoxy-2-(thian-3-yloxy)benzonitrile
CID 117376744
3-[2-(thian-3-yloxy)phenyl]propan-1-ol
CID 117384484
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propan-2-one
CID 117420326
1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117448469
4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491636

Frequently Asked Questions

What is the IUPAC name of O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine (CID 117426921) is O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine is COc1c(CON)cccc1OC1CCCSC1.
What is the InChIKey of O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine?
The InChIKey is ZMZTXZVROKSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-15-13-10(8-16-14)4-2-6-12(13)17-11-5-3-7-18-9-11/h2,4,6,11H,3,5,7-9,14H2,1H3.
What are the key properties of O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine?
O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine has a molecular weight of 269.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117426921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).