N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine

C8H16N2O5S2 — CID 63243134

IUPACN-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine
SMILESCS(=O)(=O)CCS(=O)(=O)N1CCC(=NO)CC1
InChIInChI=1S/C8H16N2O5S2/c1-16(12,13)6-7-17(14,15)10-4-2-8(9-11)3-5-10/h11H,2-7H2,1H3
InChIKeyHTFIJJWCHMZFGE-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.71
Rot. Bonds4

About N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine

N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 63243134) has the molecular formula C8H16N2O5S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine
PubChem CID63243134
Molecular FormulaC8H16N2O5S2
Molecular Weight284.36 g/mol
Exact Mass284.05
IUPAC NameN-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine
SMILESCS(=O)(=O)CCS(=O)(=O)N1CCC(=NO)CC1
InChIInChI=1S/C8H16N2O5S2/c1-16(12,13)6-7-17(14,15)10-4-2-8(9-11)3-5-10/h11H,2-7H2,1H3
InChIKeyHTFIJJWCHMZFGE-UHFFFAOYSA-N
XLogP-0.71
TPSA104.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine (CID 63243134) is N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine is CS(=O)(=O)CCS(=O)(=O)N1CCC(=NO)CC1.
What is the InChIKey of N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is HTFIJJWCHMZFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S2/c1-16(12,13)6-7-17(14,15)10-4-2-8(9-11)3-5-10/h11H,2-7H2,1H3.
What are the key properties of N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 284.36 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonylethylsulfonyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 63243134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).