O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine

C7H16N2O3S — CID 166958609

IUPACO-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine
SMILESNOCS(=O)(=O)CN1CCCCC1
InChIInChI=1S/C7H16N2O3S/c8-12-7-13(10,11)6-9-4-2-1-3-5-9/h1-8H2
InChIKeyPCROFBSGVGIHJD-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.31
Rot. Bonds4

About O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine

O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine (PubChem CID 166958609) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine
PubChem CID166958609
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameO-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine
SMILESNOCS(=O)(=O)CN1CCCCC1
InChIInChI=1S/C7H16N2O3S/c8-12-7-13(10,11)6-9-4-2-1-3-5-9/h1-8H2
InChIKeyPCROFBSGVGIHJD-UHFFFAOYSA-N
XLogP-0.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine?
The IUPAC name of O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine (CID 166958609) is O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine.
What is the SMILES notation for O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine?
The canonical SMILES for O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine is NOCS(=O)(=O)CN1CCCCC1.
What is the InChIKey of O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine?
The InChIKey is PCROFBSGVGIHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c8-12-7-13(10,11)6-9-4-2-1-3-5-9/h1-8H2.
What are the key properties of O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine?
O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine has a molecular weight of 208.28 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(piperidin-1-ylmethylsulfonylmethyl)hydroxylamine is sourced from PubChem (CID 166958609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).