1-thia-4-azaspiro[5.5]undecane-4-sulfonamide

C9H18N2O2S2 — CID 91621820

IUPAC1-thia-4-azaspiro[5.5]undecane-4-sulfonamide
SMILESNS(=O)(=O)N1CCSC2(CCCCC2)C1
InChIInChI=1S/C9H18N2O2S2/c10-15(12,13)11-6-7-14-9(8-11)4-2-1-3-5-9/h1-8H2,(H2,10,12,13)
InChIKeyGLHUZVNPJAFXOR-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.94
Rot. Bonds1

About 1-thia-4-azaspiro[5.5]undecane-4-sulfonamide

1-thia-4-azaspiro[5.5]undecane-4-sulfonamide (PubChem CID 91621820) has the molecular formula C9H18N2O2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-thia-4-azaspiro[5.5]undecane-4-sulfonamide.

Molecular Properties

Compound Name1-thia-4-azaspiro[5.5]undecane-4-sulfonamide
PubChem CID91621820
Molecular FormulaC9H18N2O2S2
Molecular Weight250.39 g/mol
Exact Mass250.08
IUPAC Name1-thia-4-azaspiro[5.5]undecane-4-sulfonamide
SMILESNS(=O)(=O)N1CCSC2(CCCCC2)C1
InChIInChI=1S/C9H18N2O2S2/c10-15(12,13)11-6-7-14-9(8-11)4-2-1-3-5-9/h1-8H2,(H2,10,12,13)
InChIKeyGLHUZVNPJAFXOR-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thia-4-azaspiro[5.5]undecane-4-sulfonamide?
The IUPAC name of 1-thia-4-azaspiro[5.5]undecane-4-sulfonamide (CID 91621820) is 1-thia-4-azaspiro[5.5]undecane-4-sulfonamide.
What is the SMILES notation for 1-thia-4-azaspiro[5.5]undecane-4-sulfonamide?
The canonical SMILES for 1-thia-4-azaspiro[5.5]undecane-4-sulfonamide is NS(=O)(=O)N1CCSC2(CCCCC2)C1.
What is the InChIKey of 1-thia-4-azaspiro[5.5]undecane-4-sulfonamide?
The InChIKey is GLHUZVNPJAFXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S2/c10-15(12,13)11-6-7-14-9(8-11)4-2-1-3-5-9/h1-8H2,(H2,10,12,13).
What are the key properties of 1-thia-4-azaspiro[5.5]undecane-4-sulfonamide?
1-thia-4-azaspiro[5.5]undecane-4-sulfonamide has a molecular weight of 250.39 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-4-azaspiro[5.5]undecane-4-sulfonamide is sourced from PubChem (CID 91621820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).