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

C10H18N2O3S — CID 105361207

IUPACN-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine
SMILESO=S(=O)(C1CCCC1)N1CCC(=NO)CC1
InChIInChI=1S/C10H18N2O3S/c13-11-9-5-7-12(8-6-9)16(14,15)10-3-1-2-4-10/h10,13H,1-8H2
InChIKeyGXDZBEWSOAFZDO-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.18
Rot. Bonds2

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

N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine (PubChem CID 105361207) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine
PubChem CID105361207
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine
SMILESO=S(=O)(C1CCCC1)N1CCC(=NO)CC1
InChIInChI=1S/C10H18N2O3S/c13-11-9-5-7-12(8-6-9)16(14,15)10-3-1-2-4-10/h10,13H,1-8H2
InChIKeyGXDZBEWSOAFZDO-UHFFFAOYSA-N
XLogP1.18
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.18
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-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine (CID 105361207) is N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine is O=S(=O)(C1CCCC1)N1CCC(=NO)CC1.
What is the InChIKey of N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is GXDZBEWSOAFZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-11-9-5-7-12(8-6-9)16(14,15)10-3-1-2-4-10/h10,13H,1-8H2.
What are the key properties of N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine?
N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 246.33 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 105361207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).