O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine

C12H17NOS — CID 117320815

IUPACO-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(C2CCSCC2)cc1
InChIInChI=1S/C12H17NOS/c13-14-9-10-1-3-11(4-2-10)12-5-7-15-8-6-12/h1-4,12H,5-9,13H2
InChIKeyVYWYMLZOYARQLE-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.69
Rot. Bonds3

About O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine

O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine (PubChem CID 117320815) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine
PubChem CID117320815
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameO-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(C2CCSCC2)cc1
InChIInChI=1S/C12H17NOS/c13-14-9-10-1-3-11(4-2-10)12-5-7-15-8-6-12/h1-4,12H,5-9,13H2
InChIKeyVYWYMLZOYARQLE-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(thian-4-yl)phenyl]acetonitrile
CID 84785647
N-methyl-2-[4-(thian-4-yl)phenyl]ethanamine
CID 115006067
3-[4-(thian-4-yl)phenyl]propanoic acid
CID 117379775
4-phenylthiane
CID 601191
2-[4-(thiolan-3-yl)phenyl]ethanamine
CID 84779900
3-amino-1-[4-(thian-4-yl)phenyl]propan-1-one
CID 117377608
1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol
CID 117341216
O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine
CID 117441210
O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine
CID 117386767
4-(4-isocyanatophenyl)thiane
CID 83917538
1-(4-cyclopropylphenyl)propan-2-amine
CID 79983899
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448

Frequently Asked Questions

What is the IUPAC name of O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine (CID 117320815) is O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine is NOCc1ccc(C2CCSCC2)cc1.
What is the InChIKey of O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine?
The InChIKey is VYWYMLZOYARQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c13-14-9-10-1-3-11(4-2-10)12-5-7-15-8-6-12/h1-4,12H,5-9,13H2.
What are the key properties of O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine?
O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine has a molecular weight of 223.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-(thian-4-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117320815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).