N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine

C8H16N2O3S — CID 60864753

IUPACN-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine
SMILESCC(C)S(=O)(=O)N1CCC(=NO)CC1
InChIInChI=1S/C8H16N2O3S/c1-7(2)14(12,13)10-5-3-8(9-11)4-6-10/h7,11H,3-6H2,1-2H3
InChIKeySSGBRHXOGLPVLT-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.65
Rot. Bonds2

About N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine

N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine (PubChem CID 60864753) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine
PubChem CID60864753
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine
SMILESCC(C)S(=O)(=O)N1CCC(=NO)CC1
InChIInChI=1S/C8H16N2O3S/c1-7(2)14(12,13)10-5-3-8(9-11)4-6-10/h7,11H,3-6H2,1-2H3
InChIKeySSGBRHXOGLPVLT-UHFFFAOYSA-N
XLogP0.65
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.65
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-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine (CID 60864753) is N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine is CC(C)S(=O)(=O)N1CCC(=NO)CC1.
What is the InChIKey of N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is SSGBRHXOGLPVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(2)14(12,13)10-5-3-8(9-11)4-6-10/h7,11H,3-6H2,1-2H3.
What are the key properties of N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine?
N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 220.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylsulfonylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 60864753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).