N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine

C20H22N2O8S — CID 142028151

IUPACN-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine
SMILESO=S(=O)(c1ccc2c(c1CNO)OCO2)N1CCC(Oc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H22N2O8S/c23-21-10-15-19(4-3-17-20(15)29-12-27-17)31(24,25)22-7-5-13(6-8-22)30-14-1-2-16-18(9-14)28-11-26-16/h1-4,9,13,21,23H,5-8,10-12H2
InChIKeyRMZWARKYTKMFDU-UHFFFAOYSA-N
MW450.47 g/mol
LogP1.85
Rot. Bonds6

About N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine

N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine (PubChem CID 142028151) has the molecular formula C20H22N2O8S and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine
PubChem CID142028151
Molecular FormulaC20H22N2O8S
Molecular Weight450.47 g/mol
Exact Mass450.11
IUPAC NameN-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine
SMILESO=S(=O)(c1ccc2c(c1CNO)OCO2)N1CCC(Oc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H22N2O8S/c23-21-10-15-19(4-3-17-20(15)29-12-27-17)31(24,25)22-7-5-13(6-8-22)30-14-1-2-16-18(9-14)28-11-26-16/h1-4,9,13,21,23H,5-8,10-12H2
InChIKeyRMZWARKYTKMFDU-UHFFFAOYSA-N
XLogP1.85
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-2-(hydroxycarbamoyl)benzoic acid
CID 20613423
2-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-N-(oxan-2-yloxy)benzamide
CID 20613339
4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
CID 142009570
3-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)sulfonylpyrrolidine
CID 110603906
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenoxypiperidine
CID 110396758
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 175642322
2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone
CID 84755733
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5195219
4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110420735
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55785896
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 2210411
1,3-benzodioxol-5-yl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 3280819

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine?
The IUPAC name of N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine (CID 142028151) is N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine.
What is the SMILES notation for N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine?
The canonical SMILES for N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine is O=S(=O)(c1ccc2c(c1CNO)OCO2)N1CCC(Oc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine?
The InChIKey is RMZWARKYTKMFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O8S/c23-21-10-15-19(4-3-17-20(15)29-12-27-17)31(24,25)22-7-5-13(6-8-22)30-14-1-2-16-18(9-14)28-11-26-16/h1-4,9,13,21,23H,5-8,10-12H2.
What are the key properties of N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine?
N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine has a molecular weight of 450.47 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine is sourced from PubChem (CID 142028151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).