N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine

C9H18N2O3S — CID 63687318

IUPACN-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine
SMILESCC(C)(C)S(=O)(=O)N1CCC(=NO)CC1
InChIInChI=1S/C9H18N2O3S/c1-9(2,3)15(13,14)11-6-4-8(10-12)5-7-11/h12H,4-7H2,1-3H3
InChIKeyDHIJMQXCELJJMA-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.04
Rot. Bonds1

About N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine

N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine (PubChem CID 63687318) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine
PubChem CID63687318
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine
SMILESCC(C)(C)S(=O)(=O)N1CCC(=NO)CC1
InChIInChI=1S/C9H18N2O3S/c1-9(2,3)15(13,14)11-6-4-8(10-12)5-7-11/h12H,4-7H2,1-3H3
InChIKeyDHIJMQXCELJJMA-UHFFFAOYSA-N
XLogP1.04
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.04
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-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine (CID 63687318) is N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine is CC(C)(C)S(=O)(=O)N1CCC(=NO)CC1.
What is the InChIKey of N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is DHIJMQXCELJJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2,3)15(13,14)11-6-4-8(10-12)5-7-11/h12H,4-7H2,1-3H3.
What are the key properties of N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine?
N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 234.32 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylsulfonylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 63687318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).