N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine

C9H18N2OS — CID 104931059

IUPACN-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine
SMILESCSCCN1CCC(=NO)C(C)C1
InChIInChI=1S/C9H18N2OS/c1-8-7-11(5-6-13-2)4-3-9(8)10-12/h8,12H,3-7H2,1-2H3
InChIKeyLFURBVBOFQGPPB-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.52
Rot. Bonds3

About N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine

N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 104931059) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID104931059
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine
SMILESCSCCN1CCC(=NO)C(C)C1
InChIInChI=1S/C9H18N2OS/c1-8-7-11(5-6-13-2)4-3-9(8)10-12/h8,12H,3-7H2,1-2H3
InChIKeyLFURBVBOFQGPPB-UHFFFAOYSA-N
XLogP1.52
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.52
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-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine (CID 104931059) is N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine is CSCCN1CCC(=NO)C(C)C1.
What is the InChIKey of N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is LFURBVBOFQGPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-8-7-11(5-6-13-2)4-3-9(8)10-12/h8,12H,3-7H2,1-2H3.
What are the key properties of N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine?
N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 202.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).