N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine

C8H16N2OS — CID 18002147

IUPACN-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine
SMILESCSCCN1CCC(=NO)CC1
InChIInChI=1S/C8H16N2OS/c1-12-7-6-10-4-2-8(9-11)3-5-10/h11H,2-7H2,1H3
InChIKeyVHZQEJGCHUBHKS-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.28
Rot. Bonds3

About N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine

N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 18002147) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID18002147
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine
SMILESCSCCN1CCC(=NO)CC1
InChIInChI=1S/C8H16N2OS/c1-12-7-6-10-4-2-8(9-11)3-5-10/h11H,2-7H2,1H3
InChIKeyVHZQEJGCHUBHKS-UHFFFAOYSA-N
XLogP1.28
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine (CID 18002147) is N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine is CSCCN1CCC(=NO)CC1.
What is the InChIKey of N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is VHZQEJGCHUBHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-12-7-6-10-4-2-8(9-11)3-5-10/h11H,2-7H2,1H3.
What are the key properties of N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 188.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 18002147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).