(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine

C11H15NO3S — CID 102550852

IUPAC(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine
SMILESCCS(=O)(=O)C/C(=N/O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO3S/c1-3-16(14,15)8-11(12-13)10-6-4-9(2)5-7-10/h4-7,13H,3,8H2,1-2H3/b12-11-
InChIKeyZXHZFXPUGXMZTN-QXMHVHEDSA-N
MW241.31 g/mol
LogP1.61
Rot. Bonds4

About (NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine

(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine (PubChem CID 102550852) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine
PubChem CID102550852
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine
SMILESCCS(=O)(=O)C/C(=N/O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO3S/c1-3-16(14,15)8-11(12-13)10-6-4-9(2)5-7-10/h4-7,13H,3,8H2,1-2H3/b12-11-
InChIKeyZXHZFXPUGXMZTN-QXMHVHEDSA-N
XLogP1.61
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 102550846
N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 131849820
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine
CID 134852362
(NE)-N-[2-ethylsulfonyl-1-(2-methylphenyl)ethylidene]hydroxylamine
CID 102550856
(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine
CID 12707912
N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 85344533
(NZ)-N-[4-methyl-1-(4-methylphenyl)pent-3-enylidene]hydroxylamine
CID 177415583
(NE)-N-[2-methylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 102550829
(4-methylphenyl) 2-ethylsulfonylacetate
CID 86219817
N-ethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfonylacetamide
CID 114232957
1-(4-methylphenyl)-2-pentylsulfonylethanone
CID 107764438

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine (CID 102550852) is (NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine is CCS(=O)(=O)C/C(=N/O)c1ccc(C)cc1.
What is the InChIKey of (NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine?
The InChIKey is ZXHZFXPUGXMZTN-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-16(14,15)8-11(12-13)10-6-4-9(2)5-7-10/h4-7,13H,3,8H2,1-2H3/b12-11-.
What are the key properties of (NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine?
(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 241.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 102550852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).