8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane

C10H19NO2S — CID 130820305

IUPAC8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCC(C)S(=O)(=O)N1C2CCCC1CC2
InChIInChI=1S/C10H19NO2S/c1-8(2)14(12,13)11-9-4-3-5-10(11)7-6-9/h8-10H,3-7H2,1-2H3
InChIKeyKYLCICWRTXUQNP-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.74
Rot. Bonds2

About 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane

8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 130820305) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID130820305
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCC(C)S(=O)(=O)N1C2CCCC1CC2
InChIInChI=1S/C10H19NO2S/c1-8(2)14(12,13)11-9-4-3-5-10(11)7-6-9/h8-10H,3-7H2,1-2H3
InChIKeyKYLCICWRTXUQNP-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane (CID 130820305) is 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane is CC(C)S(=O)(=O)N1C2CCCC1CC2.
What is the InChIKey of 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is KYLCICWRTXUQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)14(12,13)11-9-4-3-5-10(11)7-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 217.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130820305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).