N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine

C8H16N2O3S — CID 24702075

IUPACN-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
SMILESCCCS(=O)(=O)N1CCC(=NO)CC1
InChIInChI=1S/C8H16N2O3S/c1-2-7-14(12,13)10-5-3-8(9-11)4-6-10/h11H,2-7H2,1H3
InChIKeyRULRTLVESISKRV-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.65
Rot. Bonds3

About N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine

N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine (PubChem CID 24702075) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
PubChem CID24702075
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
SMILESCCCS(=O)(=O)N1CCC(=NO)CC1
InChIInChI=1S/C8H16N2O3S/c1-2-7-14(12,13)10-5-3-8(9-11)4-6-10/h11H,2-7H2,1H3
InChIKeyRULRTLVESISKRV-UHFFFAOYSA-N
XLogP0.65
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-propylsulfonylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine (CID 24702075) is N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine is CCCS(=O)(=O)N1CCC(=NO)CC1.
What is the InChIKey of N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is RULRTLVESISKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-2-7-14(12,13)10-5-3-8(9-11)4-6-10/h11H,2-7H2,1H3.
What are the key properties of N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine?
N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 220.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylsulfonylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 24702075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).