(NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine

C18H21NOS — CID 71460821

IUPAC(NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine
SMILESCC(C)(C)c1cccc(/C(CSc2ccccc2)=N/O)c1
InChIInChI=1S/C18H21NOS/c1-18(2,3)15-9-7-8-14(12-15)17(19-20)13-21-16-10-5-4-6-11-16/h4-12,20H,13H2,1-3H3/b19-17+
InChIKeyXAYIPRIPZNLRIM-HTXNQAPBSA-N
MW299.44 g/mol
LogP4.95
Rot. Bonds4

About (NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine

(NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine (PubChem CID 71460821) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is (NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine
PubChem CID71460821
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name(NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine
SMILESCC(C)(C)c1cccc(/C(CSc2ccccc2)=N/O)c1
InChIInChI=1S/C18H21NOS/c1-18(2,3)15-9-7-8-14(12-15)17(19-20)13-21-16-10-5-4-6-11-16/h4-12,20H,13H2,1-3H3/b19-17+
InChIKeyXAYIPRIPZNLRIM-HTXNQAPBSA-N
XLogP4.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.95
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 (NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine (CID 71460821) is (NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine is CC(C)(C)c1cccc(/C(CSc2ccccc2)=N/O)c1.
What is the InChIKey of (NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine?
The InChIKey is XAYIPRIPZNLRIM-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H21NOS/c1-18(2,3)15-9-7-8-14(12-15)17(19-20)13-21-16-10-5-4-6-11-16/h4-12,20H,13H2,1-3H3/b19-17+.
What are the key properties of (NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine?
(NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine has a molecular weight of 299.44 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3-tert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine is sourced from PubChem (CID 71460821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).