(NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine

C17H19NOS — CID 12939353

IUPAC(NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine
SMILESCC(C)(C)Sc1ccccc1/C(=N/O)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-17(2,3)20-15-12-8-7-11-14(15)16(18-19)13-9-5-4-6-10-13/h4-12,19H,1-3H3/b18-16+
InChIKeyJDLZVMPZOPWXNC-FBMGVBCBSA-N
MW285.41 g/mol
LogP4.80
Rot. Bonds3

About (NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine

(NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine (PubChem CID 12939353) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine
PubChem CID12939353
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine
SMILESCC(C)(C)Sc1ccccc1/C(=N/O)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-17(2,3)20-15-12-8-7-11-14(15)16(18-19)13-9-5-4-6-10-13/h4-12,19H,1-3H3/b18-16+
InChIKeyJDLZVMPZOPWXNC-FBMGVBCBSA-N
XLogP4.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.80
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 (NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine (CID 12939353) is (NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine is CC(C)(C)Sc1ccccc1/C(=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine?
The InChIKey is JDLZVMPZOPWXNC-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H19NOS/c1-17(2,3)20-15-12-8-7-11-14(15)16(18-19)13-9-5-4-6-10-13/h4-12,19H,1-3H3/b18-16+.
What are the key properties of (NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine?
(NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine has a molecular weight of 285.41 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-tert-butylsulfanylphenyl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 12939353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).