(NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine

C14H11NOS — CID 152773087

IUPAC(NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine
SMILESO/N=C1/c2ccccc2CSc2ccccc21
InChIInChI=1S/C14H11NOS/c16-15-14-11-6-2-1-5-10(11)9-17-13-8-4-3-7-12(13)14/h1-8,16H,9H2/b15-14-
InChIKeyOTHUDBSNTKLOFF-PFONDFGASA-N
MW241.32 g/mol
LogP3.52
Rot. Bonds

About (NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine

(NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine (PubChem CID 152773087) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is (NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine
PubChem CID152773087
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name(NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine
SMILESO/N=C1/c2ccccc2CSc2ccccc21
InChIInChI=1S/C14H11NOS/c16-15-14-11-6-2-1-5-10(11)9-17-13-8-4-3-7-12(13)14/h1-8,16H,9H2/b15-14-
InChIKeyOTHUDBSNTKLOFF-PFONDFGASA-N
XLogP3.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.52
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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Related Compounds

3-propan-2-ylidene-1H-2-benzothiophene
CID 21279499
1-methyl-6H-benzo[c]thiochromene
CID 166919119
3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanamide
CID 3087075
1-benzothiophen-3-one
CID 10986413
(NE)-N-[(4-chloro-2H-thiochromen-3-yl)methylidene]hydroxylamine
CID 89253594
(NE)-N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine
CID 5400234
11-(1-methylthian-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine iodide
CID 3087755
4-(6H-benzo[c]thiochromen-2-yl)aniline
CID 165116806
(2Z)-2-(6H-benzo[c][1]benzothiepin-11-ylidene)-1-(4-methylpiperazin-1-yl)ethanone
CID 1044035
N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine
CID 90482427
N-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)hydroxylamine
CID 21414236
3-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]propan-1-ol
CID 22462525

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine (CID 152773087) is (NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine is O/N=C1/c2ccccc2CSc2ccccc21.
What is the InChIKey of (NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine?
The InChIKey is OTHUDBSNTKLOFF-PFONDFGASA-N. The full InChI is InChI=1S/C14H11NOS/c16-15-14-11-6-2-1-5-10(11)9-17-13-8-4-3-7-12(13)14/h1-8,16H,9H2/b15-14-.
What are the key properties of (NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine?
(NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine has a molecular weight of 241.32 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine is sourced from PubChem (CID 152773087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).