(NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine

C12H17NOS — CID 44613926

IUPAC(NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine
SMILESCCSc1ccc(C/C(CC)=N\O)cc1
InChIInChI=1S/C12H17NOS/c1-3-11(13-14)9-10-5-7-12(8-6-10)15-4-2/h5-8,14H,3-4,9H2,1-2H3/b13-11-
InChIKeyVHHOWCIVBBPLHC-QBFSEMIESA-N
MW223.34 g/mol
LogP3.58
Rot. Bonds5

About (NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine

(NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine (PubChem CID 44613926) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine
PubChem CID44613926
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine
SMILESCCSc1ccc(C/C(CC)=N\O)cc1
InChIInChI=1S/C12H17NOS/c1-3-11(13-14)9-10-5-7-12(8-6-10)15-4-2/h5-8,14H,3-4,9H2,1-2H3/b13-11-
InChIKeyVHHOWCIVBBPLHC-QBFSEMIESA-N
XLogP3.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.58
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-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine (CID 44613926) is (NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine is CCSc1ccc(C/C(CC)=N\O)cc1.
What is the InChIKey of (NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine?
The InChIKey is VHHOWCIVBBPLHC-QBFSEMIESA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-11(13-14)9-10-5-7-12(8-6-10)15-4-2/h5-8,14H,3-4,9H2,1-2H3/b13-11-.
What are the key properties of (NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine?
(NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine has a molecular weight of 223.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 44613926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).