O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine

C7H16N2O3S — CID 39242101

IUPACO-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine
SMILESCS(=O)(=O)N1CCC(CON)CC1
InChIInChI=1S/C7H16N2O3S/c1-13(10,11)9-4-2-7(3-5-9)6-12-8/h7H,2-6,8H2,1H3
InChIKeyHEWAHILDNHLLMM-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.45
Rot. Bonds3

About O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine

O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine (PubChem CID 39242101) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine
PubChem CID39242101
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameO-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine
SMILESCS(=O)(=O)N1CCC(CON)CC1
InChIInChI=1S/C7H16N2O3S/c1-13(10,11)9-4-2-7(3-5-9)6-12-8/h7H,2-6,8H2,1H3
InChIKeyHEWAHILDNHLLMM-UHFFFAOYSA-N
XLogP-0.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine?
The IUPAC name of O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine (CID 39242101) is O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine is CS(=O)(=O)N1CCC(CON)CC1.
What is the InChIKey of O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine?
The InChIKey is HEWAHILDNHLLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-13(10,11)9-4-2-7(3-5-9)6-12-8/h7H,2-6,8H2,1H3.
What are the key properties of O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine?
O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine has a molecular weight of 208.28 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1-methylsulfonylpiperidin-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 39242101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).