(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine

C13H19NO4S — CID 106725509

IUPAC(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCCCS(=O)(=O)CCOc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C13H19NO4S/c1-3-9-19(16,17)10-8-18-13-6-4-12(5-7-13)11(2)14-15/h4-7,15H,3,8-10H2,1-2H3/b14-11+
InChIKeyACFPADJXJCRZAL-SDNWHVSQSA-N
MW285.37 g/mol
LogP2.09
Rot. Bonds7

About (NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 106725509) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is (NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID106725509
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCCCS(=O)(=O)CCOc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C13H19NO4S/c1-3-9-19(16,17)10-8-18-13-6-4-12(5-7-13)11(2)14-15/h4-7,15H,3,8-10H2,1-2H3/b14-11+
InChIKeyACFPADJXJCRZAL-SDNWHVSQSA-N
XLogP2.09
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725537
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
1-(chloromethyl)-4-(2-propylsulfonylethoxy)benzene
CID 106726467
1-(bromomethyl)-4-(2-propylsulfonylethoxy)benzene
CID 106726492
[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl] 4-pentoxybenzoate
CID 177411555
[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl] 4-octoxybenzoate
CID 43835949
(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
CID 103033958
N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine
CID 77073927
(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
CID 82926938
1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728342

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine (CID 106725509) is (NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine is CCCS(=O)(=O)CCOc1ccc(/C(C)=N/O)cc1.
What is the InChIKey of (NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is ACFPADJXJCRZAL-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-9-19(16,17)10-8-18-13-6-4-12(5-7-13)11(2)14-15/h4-7,15H,3,8-10H2,1-2H3/b14-11+.
What are the key properties of (NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 285.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 106725509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).