6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane

C10H19NO2S — CID 130815616

IUPAC6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane
SMILESCC(C)S(=O)(=O)N1CCC2(CCC2)C1
InChIInChI=1S/C10H19NO2S/c1-9(2)14(12,13)11-7-6-10(8-11)4-3-5-10/h9H,3-8H2,1-2H3
InChIKeyGIYSHYDLTNOZBQ-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.60
Rot. Bonds2

About 6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane

6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane (PubChem CID 130815616) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane
PubChem CID130815616
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane
SMILESCC(C)S(=O)(=O)N1CCC2(CCC2)C1
InChIInChI=1S/C10H19NO2S/c1-9(2)14(12,13)11-7-6-10(8-11)4-3-5-10/h9H,3-8H2,1-2H3
InChIKeyGIYSHYDLTNOZBQ-UHFFFAOYSA-N
XLogP1.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane?
The IUPAC name of 6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane (CID 130815616) is 6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane?
The canonical SMILES for 6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane is CC(C)S(=O)(=O)N1CCC2(CCC2)C1.
What is the InChIKey of 6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane?
The InChIKey is GIYSHYDLTNOZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(2)14(12,13)11-7-6-10(8-11)4-3-5-10/h9H,3-8H2,1-2H3.
What are the key properties of 6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane?
6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane has a molecular weight of 217.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 130815616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).