N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine

C10H20N2OS — CID 104930974

IUPACN-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCCSCCN1CCC(=NO)C(C)C1
InChIInChI=1S/C10H20N2OS/c1-3-14-7-6-12-5-4-10(11-13)9(2)8-12/h9,13H,3-8H2,1-2H3
InChIKeyKIPYSXXJBFPREO-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.91
Rot. Bonds4

About N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine

N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine (PubChem CID 104930974) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine
PubChem CID104930974
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCCSCCN1CCC(=NO)C(C)C1
InChIInChI=1S/C10H20N2OS/c1-3-14-7-6-12-5-4-10(11-13)9(2)8-12/h9,13H,3-8H2,1-2H3
InChIKeyKIPYSXXJBFPREO-UHFFFAOYSA-N
XLogP1.91
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine (CID 104930974) is N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine is CCSCCN1CCC(=NO)C(C)C1.
What is the InChIKey of N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is KIPYSXXJBFPREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-14-7-6-12-5-4-10(11-13)9(2)8-12/h9,13H,3-8H2,1-2H3.
What are the key properties of N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 216.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104930974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).