N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine

C16H20N2O4S2 — CID 142096228

IUPACN-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine
SMILESCOc1cc(SN2CCC(Oc3ccccc3)CC2)c(ONO)s1
InChIInChI=1S/C16H20N2O4S2/c1-20-15-11-14(16(23-15)22-17-19)24-18-9-7-13(8-10-18)21-12-5-3-2-4-6-12/h2-6,11,13,17,19H,7-10H2,1H3
InChIKeyWXTNMHZHOUQEOG-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.58
Rot. Bonds7

About N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine

N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine (PubChem CID 142096228) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine.

Molecular Properties

Compound NameN-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine
PubChem CID142096228
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine
SMILESCOc1cc(SN2CCC(Oc3ccccc3)CC2)c(ONO)s1
InChIInChI=1S/C16H20N2O4S2/c1-20-15-11-14(16(23-15)22-17-19)24-18-9-7-13(8-10-18)21-12-5-3-2-4-6-12/h2-6,11,13,17,19H,7-10H2,1H3
InChIKeyWXTNMHZHOUQEOG-UHFFFAOYSA-N
XLogP3.58
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxycarbamoyl)-3-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfanylbenzoic acid
CID 142028113
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide
CID 142096195
4-(4-bromophenoxy)-1-phenylsulfanylpiperidine
CID 12645570
2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858856
N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028119
2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858362
2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
CID 117067726
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
N-[(3-methoxy-5-methylphenyl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427010
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427454
N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028071

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine?
The IUPAC name of N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine (CID 142096228) is N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine.
What is the SMILES notation for N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine?
The canonical SMILES for N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine is COc1cc(SN2CCC(Oc3ccccc3)CC2)c(ONO)s1.
What is the InChIKey of N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine?
The InChIKey is WXTNMHZHOUQEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-20-15-11-14(16(23-15)22-17-19)24-18-9-7-13(8-10-18)21-12-5-3-2-4-6-12/h2-6,11,13,17,19H,7-10H2,1H3.
What are the key properties of N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine?
N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine has a molecular weight of 368.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-3-(4-phenoxypiperidin-1-yl)sulfanylthiophen-2-yl]oxyhydroxylamine is sourced from PubChem (CID 142096228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).