O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine

C13H19NO3S — CID 117426919

IUPACO-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
SMILESCOc1ccc(CON)cc1OC1CCCSC1
InChIInChI=1S/C13H19NO3S/c1-15-12-5-4-10(8-16-14)7-13(12)17-11-3-2-6-18-9-11/h4-5,7,11H,2-3,6,8-9,14H2,1H3
InChIKeyKZLGIVBUFQNEFN-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.36
Rot. Bonds5

About O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine

O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine (PubChem CID 117426919) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
PubChem CID117426919
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameO-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
SMILESCOc1ccc(CON)cc1OC1CCCSC1
InChIInChI=1S/C13H19NO3S/c1-15-12-5-4-10(8-16-14)7-13(12)17-11-3-2-6-18-9-11/h4-5,7,11H,2-3,6,8-9,14H2,1H3
InChIKeyKZLGIVBUFQNEFN-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

O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine
CID 117455774
O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117391644
2-[4-methoxy-3-(thian-3-yloxy)phenyl]propan-2-amine
CID 117451953
3-[3-methoxy-4-(thian-3-yloxy)phenyl]propanal
CID 117450418
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426921
N-methoxy-1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]methanamine
CID 117426802
(E)-3-[3-methoxy-4-(thian-3-yloxy)phenyl]prop-2-en-1-amine
CID 117448497
3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane
CID 54051330
2-[3-methoxy-4-(thian-3-yloxy)phenyl]propan-1-amine
CID 117451976
[4-methoxy-3-(thian-4-yloxy)phenyl]methanamine
CID 115005336
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170

Frequently Asked Questions

What is the IUPAC name of O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine (CID 117426919) is O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine is COc1ccc(CON)cc1OC1CCCSC1.
What is the InChIKey of O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine?
The InChIKey is KZLGIVBUFQNEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-15-12-5-4-10(8-16-14)7-13(12)17-11-3-2-6-18-9-11/h4-5,7,11H,2-3,6,8-9,14H2,1H3.
What are the key properties of O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine?
O-[[4-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-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117426919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).