N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine

C10H18N2O5S2 — CID 62083704

IUPACN-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCC(=NO)CC2)CC1
InChIInChI=1S/C10H18N2O5S2/c13-11-9-1-5-12(6-2-9)19(16,17)10-3-7-18(14,15)8-4-10/h10,13H,1-8H2
InChIKeyFJRAFVMGKWABBK-UHFFFAOYSA-N
MW310.40 g/mol
LogP-0.18
Rot. Bonds2

About N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine

N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine (PubChem CID 62083704) has the molecular formula C10H18N2O5S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
PubChem CID62083704
Molecular FormulaC10H18N2O5S2
Molecular Weight310.40 g/mol
Exact Mass310.07
IUPAC NameN-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCC(=NO)CC2)CC1
InChIInChI=1S/C10H18N2O5S2/c13-11-9-1-5-12(6-2-9)19(16,17)10-3-7-18(14,15)8-4-10/h10,13H,1-8H2
InChIKeyFJRAFVMGKWABBK-UHFFFAOYSA-N
XLogP-0.18
TPSA104.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.18
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-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine (CID 62083704) is N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine is O=S1(=O)CCC(S(=O)(=O)N2CCC(=NO)CC2)CC1.
What is the InChIKey of N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is FJRAFVMGKWABBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S2/c13-11-9-1-5-12(6-2-9)19(16,17)10-3-7-18(14,15)8-4-10/h10,13H,1-8H2.
What are the key properties of N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 310.40 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 62083704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).