N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine

C11H22N2OS — CID 104931491

IUPACN-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CCCSC)CCC1=NO
InChIInChI=1S/C11H22N2OS/c1-3-10-9-13(6-4-8-15-2)7-5-11(10)12-14/h10,14H,3-9H2,1-2H3
InChIKeyJGYZUVINYUEMRY-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.30
Rot. Bonds5

About N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine

N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 104931491) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine
PubChem CID104931491
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CCCSC)CCC1=NO
InChIInChI=1S/C11H22N2OS/c1-3-10-9-13(6-4-8-15-2)7-5-11(10)12-14/h10,14H,3-9H2,1-2H3
InChIKeyJGYZUVINYUEMRY-UHFFFAOYSA-N
XLogP2.30
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.30
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-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine (CID 104931491) is N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine is CCC1CN(CCCSC)CCC1=NO.
What is the InChIKey of N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is JGYZUVINYUEMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-10-9-13(6-4-8-15-2)7-5-11(10)12-14/h10,14H,3-9H2,1-2H3.
What are the key properties of N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine?
N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 230.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).