ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine

C14H28N2O2S — CID 143919286

IUPACethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine
SMILESCC.CC.CSN(O)CCCOc1ccc(C)cn1
InChIInChI=1S/C10H16N2O2S.2C2H6/c1-9-4-5-10(11-8-9)14-7-3-6-12(13)15-2;2*1-2/h4-5,8,13H,3,6-7H2,1-2H3;2*1-2H3
InChIKeyUUEWOEXZLXMJPA-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.18
Rot. Bonds6

About ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine

ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine (PubChem CID 143919286) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine.

Molecular Properties

Compound Nameethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine
PubChem CID143919286
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Nameethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine
SMILESCC.CC.CSN(O)CCCOc1ccc(C)cn1
InChIInChI=1S/C10H16N2O2S.2C2H6/c1-9-4-5-10(11-8-9)14-7-3-6-12(13)15-2;2*1-2/h4-5,8,13H,3,6-7H2,1-2H3;2*1-2H3
InChIKeyUUEWOEXZLXMJPA-UHFFFAOYSA-N
XLogP4.18
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine?
The IUPAC name of ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine (CID 143919286) is ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine.
What is the SMILES notation for ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine?
The canonical SMILES for ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine is CC.CC.CSN(O)CCCOc1ccc(C)cn1.
What is the InChIKey of ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine?
The InChIKey is UUEWOEXZLXMJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S.2C2H6/c1-9-4-5-10(11-8-9)14-7-3-6-12(13)15-2;2*1-2/h4-5,8,13H,3,6-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine?
ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine has a molecular weight of 288.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine is sourced from PubChem (CID 143919286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).