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

C12H17NO3S — CID 117391644

IUPACO-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
SMILESCOc1cc(CON)ccc1OC1CCSC1
InChIInChI=1S/C12H17NO3S/c1-14-12-6-9(7-15-13)2-3-11(12)16-10-4-5-17-8-10/h2-3,6,10H,4-5,7-8,13H2,1H3
InChIKeyKFJRWPRALUPYRP-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.97
Rot. Bonds5

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

O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine (PubChem CID 117391644) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
PubChem CID117391644
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameO-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
SMILESCOc1cc(CON)ccc1OC1CCSC1
InChIInChI=1S/C12H17NO3S/c1-14-12-6-9(7-15-13)2-3-11(12)16-10-4-5-17-8-10/h2-3,6,10H,4-5,7-8,13H2,1H3
InChIKeyKFJRWPRALUPYRP-UHFFFAOYSA-N
XLogP1.97
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.97
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-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426919
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
N-methoxy-1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]methanamine
CID 117426802
[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
CID 117389372
O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine
CID 117455774
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309
3-[3-methoxy-4-(thian-3-yloxy)phenyl]propanal
CID 117450418
[4-methoxy-3-(thian-4-yloxy)phenyl]methanamine
CID 115005336
(E)-3-[3-methoxy-4-(thian-3-yloxy)phenyl]prop-2-en-1-amine
CID 117448497
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
4-amino-4-[3-methoxy-4-(thiolan-3-yloxy)phenyl]butanoic acid
CID 117496275

Frequently Asked Questions

What is the IUPAC name of O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine (CID 117391644) is O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine is COc1cc(CON)ccc1OC1CCSC1.
What is the InChIKey of O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine?
The InChIKey is KFJRWPRALUPYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-14-12-6-9(7-15-13)2-3-11(12)16-10-4-5-17-8-10/h2-3,6,10H,4-5,7-8,13H2,1H3.
What are the key properties of O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine?
O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine has a molecular weight of 255.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117391644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).