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

C14H21NO4S — CID 106725537

IUPAC(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCCCS(=O)(=O)CCOc1cc(C)ccc1/C(C)=N/O
InChIInChI=1S/C14H21NO4S/c1-4-8-20(17,18)9-7-19-14-10-11(2)5-6-13(14)12(3)15-16/h5-6,10,16H,4,7-9H2,1-3H3/b15-12+
InChIKeyUHIDDSXJFXGQRW-NTCAYCPXSA-N
MW299.39 g/mol
LogP2.40
Rot. Bonds7

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

(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 106725537) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is (NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID106725537
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCCCS(=O)(=O)CCOc1cc(C)ccc1/C(C)=N/O
InChIInChI=1S/C14H21NO4S/c1-4-8-20(17,18)9-7-19-14-10-11(2)5-6-13(14)12(3)15-16/h5-6,10,16H,4,7-9H2,1-3H3/b15-12+
InChIKeyUHIDDSXJFXGQRW-NTCAYCPXSA-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': '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-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 77003544
N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77055461
(NE)-N-[1-[2-(3-ethylsulfanylpropoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 113473665
5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol
CID 77003699
(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725509
3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide
CID 77003549
(NE)-N-[1-[5-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725527
1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone
CID 106725008
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 77003598
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine (CID 106725537) is (NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine is CCCS(=O)(=O)CCOc1cc(C)ccc1/C(C)=N/O.
What is the InChIKey of (NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is UHIDDSXJFXGQRW-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-8-20(17,18)9-7-19-14-10-11(2)5-6-13(14)12(3)15-16/h5-6,10,16H,4,7-9H2,1-3H3/b15-12+.
What are the key properties of (NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]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 (NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 106725537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).