N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine

C10H18N2O4S — CID 55031394

IUPACN-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine
SMILESO=S(=O)(C1CCOCC1)N1CCC(=NO)CC1
InChIInChI=1S/C10H18N2O4S/c13-11-9-1-5-12(6-2-9)17(14,15)10-3-7-16-8-4-10/h10,13H,1-8H2
InChIKeyLSSGTZIKXBOFLS-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.42
Rot. Bonds2

About N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine

N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 55031394) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine
PubChem CID55031394
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine
SMILESO=S(=O)(C1CCOCC1)N1CCC(=NO)CC1
InChIInChI=1S/C10H18N2O4S/c13-11-9-1-5-12(6-2-9)17(14,15)10-3-7-16-8-4-10/h10,13H,1-8H2
InChIKeyLSSGTZIKXBOFLS-UHFFFAOYSA-N
XLogP0.42
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine
CID 105361207
4-chloro-1-(oxan-4-ylsulfonyl)piperidine
CID 63396412
N-[1-(oxolan-3-yl)piperidin-4-ylidene]hydroxylamine
CID 63558761
2-methyl-2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propanenitrile
CID 63341138
4-(oxan-4-ylsulfonyl)-1,4-diazepan-2-one
CID 63239190
2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid
CID 64617436
N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24695757
1-[2-(oxan-4-ylsulfonyl)acetyl]piperidin-4-one
CID 64636788
(1-cyclopentylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 110619013
4-chloro-1-cyclopropylsulfonylpiperidine
CID 64552242
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
CID 133311667
1-cyclopropylsulfonylpiperazine
CID 45496790

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine (CID 55031394) is N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine is O=S(=O)(C1CCOCC1)N1CCC(=NO)CC1.
What is the InChIKey of N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is LSSGTZIKXBOFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-11-9-1-5-12(6-2-9)17(14,15)10-3-7-16-8-4-10/h10,13H,1-8H2.
What are the key properties of N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 262.33 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-ylsulfonyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 55031394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).