6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine

C10H20N2O2S — CID 165469236

IUPAC6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)S(=O)(=O)N1CC2CC(N)CC1C2
InChIInChI=1S/C10H20N2O2S/c1-7(2)15(13,14)12-6-8-3-9(11)5-10(12)4-8/h7-10H,3-6,11H2,1-2H3
InChIKeyBXKDTBJJRSCWFX-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.54
Rot. Bonds2

About 6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine

6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine (PubChem CID 165469236) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
PubChem CID165469236
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)S(=O)(=O)N1CC2CC(N)CC1C2
InChIInChI=1S/C10H20N2O2S/c1-7(2)15(13,14)12-6-8-3-9(11)5-10(12)4-8/h7-10H,3-6,11H2,1-2H3
InChIKeyBXKDTBJJRSCWFX-UHFFFAOYSA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine (CID 165469236) is 6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine is CC(C)S(=O)(=O)N1CC2CC(N)CC1C2.
What is the InChIKey of 6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BXKDTBJJRSCWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-7(2)15(13,14)12-6-8-3-9(11)5-10(12)4-8/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 232.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 165469236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).