N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine

C11H16N2O3S — CID 131849823

IUPACN-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine
SMILESCCC(C(=NO)c1ccc(N)cc1)S(C)(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-3-10(17(2,15)16)11(13-14)8-4-6-9(12)7-5-8/h4-7,10,14H,3,12H2,1-2H3
InChIKeyAFWNEEVJVOYSFA-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.27
Rot. Bonds4

About N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine

N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine (PubChem CID 131849823) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine
PubChem CID131849823
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine
SMILESCCC(C(=NO)c1ccc(N)cc1)S(C)(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-3-10(17(2,15)16)11(13-14)8-4-6-9(12)7-5-8/h4-7,10,14H,3,12H2,1-2H3
InChIKeyAFWNEEVJVOYSFA-UHFFFAOYSA-N
XLogP1.27
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

1-(4-aminophenyl)-2-ethylsulfonylbutan-1-one
CID 102549650
1-(4-aminophenyl)-3-hydroxy-2-methylsulfonylpropan-1-one
CID 102549946
1-(4-aminophenyl)-2-ethylsulfonyl-3-hydroxypropan-1-one
CID 102549968
N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine
CID 174925218
ethyl 4-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]benzoate
CID 87384501
1-(4-aminophenyl)propan-1-one
CID 6270
4-aminobenzoyl bromide;ethanesulfonate
CID 23349406
4-amino-N-butan-2-ylbenzamide
CID 3503917
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
bis(4-aminobenzoic acid);butane-1,1-diol
CID 66968350
4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
S-ethyl N-[amino-(4-aminophenyl)methylidene]carbamothioate
CID 161203173

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine?
The IUPAC name of N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine (CID 131849823) is N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine is CCC(C(=NO)c1ccc(N)cc1)S(C)(=O)=O.
What is the InChIKey of N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine?
The InChIKey is AFWNEEVJVOYSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-10(17(2,15)16)11(13-14)8-4-6-9(12)7-5-8/h4-7,10,14H,3,12H2,1-2H3.
What are the key properties of N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine?
N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine has a molecular weight of 256.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)-2-methylsulfonylbutylidene]hydroxylamine is sourced from PubChem (CID 131849823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).