N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine

C15H13NOS — CID 6976349

IUPACN-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine
SMILESON=C1C[C@H](c2ccccc2)Sc2ccccc21
InChIInChI=1S/C15H13NOS/c17-16-13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-9,15,17H,10H2/t15-/m1/s1
InChIKeyZNBLSMMEPDCZRC-OAHLLOKOSA-N
MW255.34 g/mol
LogP4.10
Rot. Bonds1

About N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine

N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine (PubChem CID 6976349) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine
PubChem CID6976349
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC NameN-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine
SMILESON=C1C[C@H](c2ccccc2)Sc2ccccc21
InChIInChI=1S/C15H13NOS/c17-16-13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-9,15,17H,10H2/t15-/m1/s1
InChIKeyZNBLSMMEPDCZRC-OAHLLOKOSA-N
XLogP4.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.10
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-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine?
The IUPAC name of N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine (CID 6976349) is N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine?
The canonical SMILES for N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine is ON=C1C[C@H](c2ccccc2)Sc2ccccc21.
What is the InChIKey of N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine?
The InChIKey is ZNBLSMMEPDCZRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13NOS/c17-16-13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-9,15,17H,10H2/t15-/m1/s1.
What are the key properties of N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine?
N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine has a molecular weight of 255.34 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 6976349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).