N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine

C12H11NOS — CID 71360119

IUPACN-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine
SMILESON=C1CCCc2sc3ccccc3c21
InChIInChI=1S/C12H11NOS/c14-13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)15-11/h1-2,4,6,14H,3,5,7H2
InChIKeyHKKPXWVMZCQBSA-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.42
Rot. Bonds

About N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine

N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine (PubChem CID 71360119) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine
PubChem CID71360119
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC NameN-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine
SMILESON=C1CCCc2sc3ccccc3c21
InChIInChI=1S/C12H11NOS/c14-13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)15-11/h1-2,4,6,14H,3,5,7H2
InChIKeyHKKPXWVMZCQBSA-UHFFFAOYSA-N
XLogP3.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine?
The IUPAC name of N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine (CID 71360119) is N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine?
The canonical SMILES for N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine is ON=C1CCCc2sc3ccccc3c21.
What is the InChIKey of N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine?
The InChIKey is HKKPXWVMZCQBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)15-11/h1-2,4,6,14H,3,5,7H2.
What are the key properties of N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine?
N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine has a molecular weight of 217.29 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-dibenzothiophen-1-ylidene)hydroxylamine is sourced from PubChem (CID 71360119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).