N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine

C14H21NO4S — CID 77055461

IUPACN-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine
SMILESCCS(=O)(=O)CCCOc1ccc(C)cc1C(C)=NO
InChIInChI=1S/C14H21NO4S/c1-4-20(17,18)9-5-8-19-14-7-6-11(2)10-13(14)12(3)15-16/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyWUBHYYWZSCDBOL-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.40
Rot. Bonds7

About N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine

N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine (PubChem CID 77055461) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine
PubChem CID77055461
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine
SMILESCCS(=O)(=O)CCCOc1ccc(C)cc1C(C)=NO
InChIInChI=1S/C14H21NO4S/c1-4-20(17,18)9-5-8-19-14-7-6-11(2)10-13(14)12(3)15-16/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyWUBHYYWZSCDBOL-UHFFFAOYSA-N
XLogP2.40
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
(NE)-N-[1-[5-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725527
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 83157735
(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725537
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 54878942
N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79227708
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 43504906
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
(NE)-N-[1-[2-(3-ethylsulfanylpropoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 113473665
N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 76991199

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine (CID 77055461) is N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine is CCS(=O)(=O)CCCOc1ccc(C)cc1C(C)=NO.
What is the InChIKey of N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine?
The InChIKey is WUBHYYWZSCDBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-20(17,18)9-5-8-19-14-7-6-11(2)10-13(14)12(3)15-16/h6-7,10,16H,4-5,8-9H2,1-3H3.
What are the key properties of N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine?
N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine has a molecular weight of 299.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77055461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).