O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine

C14H21NO3S — CID 117455774

IUPACO-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine
SMILESCOc1ccc(CCON)cc1OC1CCCSC1
InChIInChI=1S/C14H21NO3S/c1-16-13-5-4-11(6-7-17-15)9-14(13)18-12-3-2-8-19-10-12/h4-5,9,12H,2-3,6-8,10,15H2,1H3
InChIKeyUSSSHXGJQVXYCK-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.40
Rot. Bonds6

About O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine

O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine (PubChem CID 117455774) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine
PubChem CID117455774
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameO-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine
SMILESCOc1ccc(CCON)cc1OC1CCCSC1
InChIInChI=1S/C14H21NO3S/c1-16-13-5-4-11(6-7-17-15)9-14(13)18-12-3-2-8-19-10-12/h4-5,9,12H,2-3,6-8,10,15H2,1H3
InChIKeyUSSSHXGJQVXYCK-UHFFFAOYSA-N
XLogP2.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.40
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-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117384188
3-[3-methoxy-4-(thian-3-yloxy)phenyl]propanal
CID 117450418
O-[2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethyl]hydroxylamine
CID 117420163
2-[4-methoxy-3-(thian-3-yloxy)phenyl]propan-2-amine
CID 117451953
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117391644
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
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
O-[2-(3-cyclohexyl-4-methoxyphenyl)ethyl]hydroxylamine
CID 117377552
O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426921

Frequently Asked Questions

What is the IUPAC name of O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine (CID 117455774) is O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine is COc1ccc(CCON)cc1OC1CCCSC1.
What is the InChIKey of O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine?
The InChIKey is USSSHXGJQVXYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-16-13-5-4-11(6-7-17-15)9-14(13)18-12-3-2-8-19-10-12/h4-5,9,12H,2-3,6-8,10,15H2,1H3.
What are the key properties of O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine?
O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine has a molecular weight of 283.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117455774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).